cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide

C19H28FN3O2 — CID 124687769

IUPACcis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)[C@@H]3CCC[C@@H]3N)CC2)cc1F
InChIInChI=1S/C19H28FN3O2/c1-25-18-6-5-13(11-16(18)20)12-23-9-7-14(8-10-23)22-19(24)15-3-2-4-17(15)21/h5-6,11,14-15,17H,2-4,7-10,12,21H2,1H3,(H,22,24)/t15-,17+/m1/s1
InChIKeyOWTKMICERCIWAT-WBVHZDCISA-N
MW349.45 g/mol
LogP2.04
Rot. Bonds5

About cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide

cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide (PubChem CID 124687769) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
PubChem CID124687769
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Namecis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)[C@@H]3CCC[C@@H]3N)CC2)cc1F
InChIInChI=1S/C19H28FN3O2/c1-25-18-6-5-13(11-16(18)20)12-23-9-7-14(8-10-23)22-19(24)15-3-2-4-17(15)21/h5-6,11,14-15,17H,2-4,7-10,12,21H2,1H3,(H,22,24)/t15-,17+/m1/s1
InChIKeyOWTKMICERCIWAT-WBVHZDCISA-N
XLogP2.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide 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-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 55958260
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
4-acetyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55909424
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 60550969
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
1-(3-chloro-4-methylphenyl)-3-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]urea
CID 55817120
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55958505
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 55819274
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 75404732
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 55957752

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide (CID 124687769) is cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide is COc1ccc(CN2CCC(NC(=O)[C@@H]3CCC[C@@H]3N)CC2)cc1F.
What is the InChIKey of cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide?
The InChIKey is OWTKMICERCIWAT-WBVHZDCISA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-25-18-6-5-13(11-16(18)20)12-23-9-7-14(8-10-23)22-19(24)15-3-2-4-17(15)21/h5-6,11,14-15,17H,2-4,7-10,12,21H2,1H3,(H,22,24)/t15-,17+/m1/s1.
What are the key properties of cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide?
cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 124687769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).