N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide

C29H28ClN3O2S — CID 46191243

IUPACN-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
SMILESO=C(NCc1ccc(OC2CCN(Cc3ccc(Cl)s3)CC2)nc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H28ClN3O2S/c30-27-12-11-26(36-27)20-33-16-14-25(15-17-33)35-28-13-6-21(18-31-28)19-32-29(34)24-9-7-23(8-10-24)22-4-2-1-3-5-22/h1-13,18,25H,14-17,19-20H2,(H,32,34)
InChIKeyYFEQAYPPRZLMLE-UHFFFAOYSA-N
MW518.08 g/mol
LogP6.44
Rot. Bonds8

About N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide

N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide (PubChem CID 46191243) has the molecular formula C29H28ClN3O2S and a molecular weight of 518.08 g/mol. Its IUPAC name is N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
PubChem CID46191243
Molecular FormulaC29H28ClN3O2S
Molecular Weight518.08 g/mol
Exact Mass517.16
IUPAC NameN-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
SMILESO=C(NCc1ccc(OC2CCN(Cc3ccc(Cl)s3)CC2)nc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H28ClN3O2S/c30-27-12-11-26(36-27)20-33-16-14-25(15-17-33)35-28-13-6-21(18-31-28)19-32-29(34)24-9-7-23(8-10-24)22-4-2-1-3-5-22/h1-13,18,25H,14-17,19-20H2,(H,32,34)
InChIKeyYFEQAYPPRZLMLE-UHFFFAOYSA-N
XLogP6.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.08
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide with MolForge

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Related Compounds

N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46190747
N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190053
N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46190883
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 46191383
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
CID 60520618
N-(pyridin-4-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42198673
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
3-chloro-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1H-indole-2-carboxamide
CID 55968094
N-[[6-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190049
1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 136579030
N-[[6-[1-[(2-ethoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190094

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide?
The IUPAC name of N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide (CID 46191243) is N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide is O=C(NCc1ccc(OC2CCN(Cc3ccc(Cl)s3)CC2)nc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide?
The InChIKey is YFEQAYPPRZLMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN3O2S/c30-27-12-11-26(36-27)20-33-16-14-25(15-17-33)35-28-13-6-21(18-31-28)19-32-29(34)24-9-7-23(8-10-24)22-4-2-1-3-5-22/h1-13,18,25H,14-17,19-20H2,(H,32,34).
What are the key properties of N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide?
N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide has a molecular weight of 518.08 g/mol, XLogP of 6.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 46191243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).