N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide

C31H42FN3O2 — CID 57330016

IUPACN-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide
SMILESCCN(C(=O)Cc1ccccc1)C1CCN(CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1
InChIInChI=1S/C31H42FN3O2/c1-2-35(30(36)22-24-10-5-3-6-11-24)28-16-19-34(20-17-28)21-18-29(26-14-9-15-27(32)23-26)33-31(37)25-12-7-4-8-13-25/h3,5-6,9-11,14-15,23,25,28-29H,2,4,7-8,12-13,16-22H2,1H3,(H,33,37)/t29-/m0/s1
InChIKeyIOUDSOBKAPAIPW-LJAQVGFWSA-N
MW507.69 g/mol
LogP5.51
Rot. Bonds10

About N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide

N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide (PubChem CID 57330016) has the molecular formula C31H42FN3O2 and a molecular weight of 507.69 g/mol. Its IUPAC name is N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide
PubChem CID57330016
Molecular FormulaC31H42FN3O2
Molecular Weight507.69 g/mol
Exact Mass507.33
IUPAC NameN-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide
SMILESCCN(C(=O)Cc1ccccc1)C1CCN(CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1
InChIInChI=1S/C31H42FN3O2/c1-2-35(30(36)22-24-10-5-3-6-11-24)28-16-19-34(20-17-28)21-18-29(26-14-9-15-27(32)23-26)33-31(37)25-12-7-4-8-13-25/h3,5-6,9-11,14-15,23,25,28-29H,2,4,7-8,12-13,16-22H2,1H3,(H,33,37)/t29-/m0/s1
InChIKeyIOUDSOBKAPAIPW-LJAQVGFWSA-N
XLogP5.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.69
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide
CID 10209551
N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclobutanecarboxamide
CID 10117959
N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopropanecarboxamide
CID 10142994
N-[(1S)-3-[4-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-methylpiperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide
CID 46837701
N-[(1S)-3-[4-(4-amino-2-ethyliminohex-3-en-3-yl)piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclobutanecarboxamide
CID 142233381
1-(4-acetamidophenyl)sulfonyl-N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]piperidine-4-carboxamide
CID 5276415
N-cyclopentyl-N-ethyl-2-(3-fluorophenyl)acetamide
CID 86926971
N-[3-[(3aS)-5-(4-fluoro-2,6-dimethylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide
CID 91123202
N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 10129271
2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide
CID 58631035
N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 10218769
N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 10312305

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide (CID 57330016) is N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide is CCN(C(=O)Cc1ccccc1)C1CCN(CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1.
What is the InChIKey of N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide?
The InChIKey is IOUDSOBKAPAIPW-LJAQVGFWSA-N. The full InChI is InChI=1S/C31H42FN3O2/c1-2-35(30(36)22-24-10-5-3-6-11-24)28-16-19-34(20-17-28)21-18-29(26-14-9-15-27(32)23-26)33-31(37)25-12-7-4-8-13-25/h3,5-6,9-11,14-15,23,25,28-29H,2,4,7-8,12-13,16-22H2,1H3,(H,33,37)/t29-/m0/s1.
What are the key properties of N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide?
N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide has a molecular weight of 507.69 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[4-[ethyl-(2-phenylacetyl)amino]piperidin-1-yl]-1-(3-fluorophenyl)propyl]cyclohexanecarboxamide is sourced from PubChem (CID 57330016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).