N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide

C31H30ClN3O2 — CID 46190747

IUPACN-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
SMILESO=C(NCc1ccc(OC2CCN(Cc3ccc(Cl)cc3)CC2)nc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H30ClN3O2/c32-28-13-6-23(7-14-28)22-35-18-16-29(17-19-35)37-30-15-8-24(20-33-30)21-34-31(36)27-11-9-26(10-12-27)25-4-2-1-3-5-25/h1-15,20,29H,16-19,21-22H2,(H,34,36)
InChIKeyMXBGUAHLIMIZKA-UHFFFAOYSA-N
MW512.05 g/mol
LogP6.38
Rot. Bonds8

About N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide

N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide (PubChem CID 46190747) has the molecular formula C31H30ClN3O2 and a molecular weight of 512.05 g/mol. Its IUPAC name is N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
PubChem CID46190747
Molecular FormulaC31H30ClN3O2
Molecular Weight512.05 g/mol
Exact Mass511.20
IUPAC NameN-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
SMILESO=C(NCc1ccc(OC2CCN(Cc3ccc(Cl)cc3)CC2)nc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H30ClN3O2/c32-28-13-6-23(7-14-28)22-35-18-16-29(17-19-35)37-30-15-8-24(20-33-30)21-34-31(36)27-11-9-26(10-12-27)25-4-2-1-3-5-25/h1-15,20,29H,16-19,21-22H2,(H,34,36)
InChIKeyMXBGUAHLIMIZKA-UHFFFAOYSA-N
XLogP6.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.05
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide with MolForge

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Related Compounds

N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46191243
N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46190883
N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 46191383
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine
CID 174434003
N-[[6-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190049
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
CID 60520618
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 136579030
N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190053
4-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 78890683
N,N-dimethyl-6-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyridine-3-carboxamide
CID 126824330

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide?
The IUPAC name of N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide (CID 46190747) is N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide is O=C(NCc1ccc(OC2CCN(Cc3ccc(Cl)cc3)CC2)nc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide?
The InChIKey is MXBGUAHLIMIZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClN3O2/c32-28-13-6-23(7-14-28)22-35-18-16-29(17-19-35)37-30-15-8-24(20-33-30)21-34-31(36)27-11-9-26(10-12-27)25-4-2-1-3-5-25/h1-15,20,29H,16-19,21-22H2,(H,34,36).
What are the key properties of N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide?
N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide has a molecular weight of 512.05 g/mol, XLogP of 6.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 46190747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).