N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide

C31H35ClFN3O2 — CID 10218194

IUPACN-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide
SMILESCOc1cccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1
InChIInChI=1S/C31H35ClFN3O2/c1-38-27-8-4-5-23(19-27)22-9-11-24(12-10-22)31(15-17-36(18-16-31)26-6-2-3-7-26)34-21-30(37)35-25-13-14-29(33)28(32)20-25/h4-5,8-14,19-20,26,34H,2-3,6-7,15-18,21H2,1H3,(H,35,37)
InChIKeyJNPUVFZNZDXFQS-UHFFFAOYSA-N
MW536.09 g/mol
LogP6.62
Rot. Bonds8

About N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide (PubChem CID 10218194) has the molecular formula C31H35ClFN3O2 and a molecular weight of 536.09 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide
PubChem CID10218194
Molecular FormulaC31H35ClFN3O2
Molecular Weight536.09 g/mol
Exact Mass535.24
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide
SMILESCOc1cccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1
InChIInChI=1S/C31H35ClFN3O2/c1-38-27-8-4-5-23(19-27)22-9-11-24(12-10-22)31(15-17-36(18-16-31)26-6-2-3-7-26)34-21-30(37)35-25-13-14-29(33)28(32)20-25/h4-5,8-14,19-20,26,34H,2-3,6-7,15-18,21H2,1H3,(H,35,37)
InChIKeyJNPUVFZNZDXFQS-UHFFFAOYSA-N
XLogP6.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.09
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide with MolForge

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Related Compounds

2-[[4-[4-(3-acetylphenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 10311847
2-[[4-[4-(1,3-benzodioxol-5-yl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 10175007
2-[[1-cyclopentyl-4-[4-(3-isocyanophenyl)phenyl]piperidin-4-yl]amino]-N-phenylacetamide;ethane
CID 90913583
2-[[1-cyclopentyl-4-[4-(3-isocyanophenyl)phenyl]piperidin-4-yl]-methylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 20608942
2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene
CID 91071120
3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 29022201
N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide
CID 59840445
N-(3-chloro-4-fluorophenyl)-2-[4-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide
CID 53142125
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226122
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
N-(3-chloro-4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655154
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 55864033

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide (CID 10218194) is N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide is COc1cccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide?
The InChIKey is JNPUVFZNZDXFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35ClFN3O2/c1-38-27-8-4-5-23(19-27)22-9-11-24(12-10-22)31(15-17-36(18-16-31)26-6-2-3-7-26)34-21-30(37)35-25-13-14-29(33)28(32)20-25/h4-5,8-14,19-20,26,34H,2-3,6-7,15-18,21H2,1H3,(H,35,37).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide has a molecular weight of 536.09 g/mol, XLogP of 6.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[[1-cyclopentyl-4-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]amino]acetamide is sourced from PubChem (CID 10218194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).