N-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide

C32H38F2N4O2 — CID 149073169

IUPACN-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide
SMILESCOc1ccc(N(C(=O)c2ccc(N3CCCCC3)cc2C)C2(N)CCN(Cc3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C32H38F2N4O2/c1-23-20-26(37-16-4-3-5-17-37)9-12-28(23)31(39)38(25-7-10-27(40-2)11-8-25)32(35)14-18-36(19-15-32)22-24-6-13-29(33)30(34)21-24/h6-13,20-21H,3-5,14-19,22,35H2,1-2H3
InChIKeyQOJRXOLBSUCDIN-UHFFFAOYSA-N
MW548.68 g/mol
LogP5.87
Rot. Bonds7

About N-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide

N-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide (PubChem CID 149073169) has the molecular formula C32H38F2N4O2 and a molecular weight of 548.68 g/mol. Its IUPAC name is N-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide
PubChem CID149073169
Molecular FormulaC32H38F2N4O2
Molecular Weight548.68 g/mol
Exact Mass548.30
IUPAC NameN-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide
SMILESCOc1ccc(N(C(=O)c2ccc(N3CCCCC3)cc2C)C2(N)CCN(Cc3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C32H38F2N4O2/c1-23-20-26(37-16-4-3-5-17-37)9-12-28(23)31(39)38(25-7-10-27(40-2)11-8-25)32(35)14-18-36(19-15-32)22-24-6-13-29(33)30(34)21-24/h6-13,20-21H,3-5,14-19,22,35H2,1-2H3
InChIKeyQOJRXOLBSUCDIN-UHFFFAOYSA-N
XLogP5.87
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.68
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 24945759
N-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-4-[3-(4-phenoxy-phenyl)-ureido]-benzamide
CID 44395076
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CID 156018636
N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
CID 4797797
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CID 57509743
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509790
N-(4-methoxyphenyl){[4-(piperidylcarbonyl)phenyl]amino}carboxamide
CID 1289713
9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3233181
9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
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3-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]-1H-quinazoline-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide (CID 149073169) is N-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide is COc1ccc(N(C(=O)c2ccc(N3CCCCC3)cc2C)C2(N)CCN(Cc3ccc(F)c(F)c3)CC2)cc1.
What is the InChIKey of N-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide?
The InChIKey is QOJRXOLBSUCDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2N4O2/c1-23-20-26(37-16-4-3-5-17-37)9-12-28(23)31(39)38(25-7-10-27(40-2)11-8-25)32(35)14-18-36(19-15-32)22-24-6-13-29(33)30(34)21-24/h6-13,20-21H,3-5,14-19,22,35H2,1-2H3.
What are the key properties of N-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide?
N-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide has a molecular weight of 548.68 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-2-methyl-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 149073169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).