N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide

C27H38N4O2 — CID 166141535

IUPACN-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide
SMILESCOCC(C)N1CCN(c2ccccc2NC(=O)N2CCC(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C27H38N4O2/c1-21-8-10-23(11-9-21)24-12-14-31(15-13-24)27(32)28-25-6-4-5-7-26(25)30-18-16-29(17-19-30)22(2)20-33-3/h4-11,22,24H,12-20H2,1-3H3,(H,28,32)
InChIKeyHTRUFWAEJSAIAJ-UHFFFAOYSA-N
MW450.63 g/mol
LogP4.56
Rot. Bonds6

About N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide

N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 166141535) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID166141535
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC NameN-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide
SMILESCOCC(C)N1CCN(c2ccccc2NC(=O)N2CCC(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C27H38N4O2/c1-21-8-10-23(11-9-21)24-12-14-31(15-13-24)27(32)28-25-6-4-5-7-26(25)30-18-16-29(17-19-30)22(2)20-33-3/h4-11,22,24H,12-20H2,1-3H3,(H,28,32)
InChIKeyHTRUFWAEJSAIAJ-UHFFFAOYSA-N
XLogP4.56
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid
CID 174225020
4-(2-fluoro-4-methylphenyl)-N-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
CID 166141515
N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95151911
4-[(2R)-1-methoxypropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 95150226
4-(2-methoxyethyl)-N-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113105000
4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide
CID 166141588
N-[2-fluoro-6-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-(4-propan-2-ylphenyl)piperidine-1-carboxamide
CID 166141503
N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95333968
methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111137
2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82130864
N-(2-methoxyphenyl)-4-thiophen-3-ylpiperidine-1-carboxamide
CID 90522512
2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 1017654

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide (CID 166141535) is N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide is COCC(C)N1CCN(c2ccccc2NC(=O)N2CCC(c3ccc(C)cc3)CC2)CC1.
What is the InChIKey of N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is HTRUFWAEJSAIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-21-8-10-23(11-9-21)24-12-14-31(15-13-24)27(32)28-25-6-4-5-7-26(25)30-18-16-29(17-19-30)22(2)20-33-3/h4-11,22,24H,12-20H2,1-3H3,(H,28,32).
What are the key properties of N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide?
N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 450.63 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 166141535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).