N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

C19H28FN3O — CID 119567883

IUPACN-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESNCC1(NC(=O)C2CCCN(Cc3cccc(F)c3)C2)CCCC1
InChIInChI=1S/C19H28FN3O/c20-17-7-3-5-15(11-17)12-23-10-4-6-16(13-23)18(24)22-19(14-21)8-1-2-9-19/h3,5,7,11,16H,1-2,4,6,8-10,12-14,21H2,(H,22,24)
InChIKeyNILBCYNAXRJUKG-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.43
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 119567883) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID119567883
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESNCC1(NC(=O)C2CCCN(Cc3cccc(F)c3)C2)CCCC1
InChIInChI=1S/C19H28FN3O/c20-17-7-3-5-15(11-17)12-23-10-4-6-16(13-23)18(24)22-19(14-21)8-1-2-9-19/h3,5,7,11,16H,1-2,4,6,8-10,12-14,21H2,(H,22,24)
InChIKeyNILBCYNAXRJUKG-UHFFFAOYSA-N
XLogP2.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119611972
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
CID 86859369
N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119611971
N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119422659
N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119588247
N-[3-(azepan-1-yl)propyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 56545217
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
ethyl 4-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47802432
(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94816306

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (CID 119567883) is N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is NCC1(NC(=O)C2CCCN(Cc3cccc(F)c3)C2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is NILBCYNAXRJUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c20-17-7-3-5-15(11-17)12-23-10-4-6-16(13-23)18(24)22-19(14-21)8-1-2-9-19/h3,5,7,11,16H,1-2,4,6,8-10,12-14,21H2,(H,22,24).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119567883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).