N-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide

C51H51N3O5 — CID 176788501

IUPACN-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(OCc4ccc(OC5CCN(C(=O)c6ccc(C)cc6)CC5)cc4)cc3)cc2)cc1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C51H51N3O5/c1-36-8-12-43(13-9-36)51(56)54-32-28-47(29-33-54)59-46-21-10-37(11-22-46)35-58-45-23-18-40(19-24-45)39-14-16-42(17-15-39)50(55)52-44-20-25-49(57-2)48(34-44)53-30-26-41(27-31-53)38-6-4-3-5-7-38/h3-25,34,41,47H,26-33,35H2,1-2H3,(H,52,55)
InChIKeyJGAYQNSTNLUORK-UHFFFAOYSA-N
MW785.99 g/mol
LogP10.57
Rot. Bonds12

About N-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide

N-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide (PubChem CID 176788501) has the molecular formula C51H51N3O5 and a molecular weight of 785.99 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
PubChem CID176788501
Molecular FormulaC51H51N3O5
Molecular Weight785.99 g/mol
Exact Mass785.38
IUPAC NameN-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(OCc4ccc(OC5CCN(C(=O)c6ccc(C)cc6)CC5)cc4)cc3)cc2)cc1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C51H51N3O5/c1-36-8-12-43(13-9-36)51(56)54-32-28-47(29-33-54)59-46-21-10-37(11-22-46)35-58-45-23-18-40(19-24-45)39-14-16-42(17-15-39)50(55)52-44-20-25-49(57-2)48(34-44)53-30-26-41(27-31-53)38-6-4-3-5-7-38/h3-25,34,41,47H,26-33,35H2,1-2H3,(H,52,55)
InChIKeyJGAYQNSTNLUORK-UHFFFAOYSA-N
XLogP10.57
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.99
LogP ≤ 510.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[4-methyl-3-(4-phenylpiperidin-1-yl)phenyl]benzamide
CID 176788545
N-[2-methoxy-5-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
CID 176788593
4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]benzamide
CID 176788497
N-[3-(2,6-dimethylanilino)-4-methylphenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
CID 176788490
N-[[3-(methylamino)phenyl]methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
CID 176753487
2,6-dimethyl-3-[[4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzoyl]amino]benzoic acid
CID 176753483
N-[5-(dipropylamino)-3-pyridinyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
CID 176788547
N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide
CID 2960552
methyl 4-[N-methyl-3-[[[4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzoyl]amino]methyl]anilino]benzoate
CID 176788550
tert-butyl 4-[[[4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzoyl]amino]methyl]piperidine-1-carboxylate
CID 177072963
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide
CID 176788478
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide?
The IUPAC name of N-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide (CID 176788501) is N-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide.
What is the SMILES notation for N-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide?
The canonical SMILES for N-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide is COc1ccc(NC(=O)c2ccc(-c3ccc(OCc4ccc(OC5CCN(C(=O)c6ccc(C)cc6)CC5)cc4)cc3)cc2)cc1N1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide?
The InChIKey is JGAYQNSTNLUORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H51N3O5/c1-36-8-12-43(13-9-36)51(56)54-32-28-47(29-33-54)59-46-21-10-37(11-22-46)35-58-45-23-18-40(19-24-45)39-14-16-42(17-15-39)50(55)52-44-20-25-49(57-2)48(34-44)53-30-26-41(27-31-53)38-6-4-3-5-7-38/h3-25,34,41,47H,26-33,35H2,1-2H3,(H,52,55).
What are the key properties of N-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide?
N-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide has a molecular weight of 785.99 g/mol, XLogP of 10.57, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-phenylpiperidin-1-yl)phenyl]-4-[4-[[4-[1-(4-methylbenzoyl)piperidin-4-yl]oxyphenyl]methoxy]phenyl]benzamide is sourced from PubChem (CID 176788501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).