1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide

C16H21F2N3O — CID 119857361

IUPAC1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C16H21F2N3O/c17-13-2-1-11(9-14(13)18)10-21-7-3-12(4-8-21)20-15(22)16(19)5-6-16/h1-2,9,12H,3-8,10,19H2,(H,20,22)
InChIKeyXTKZSNPXUUPAKM-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.54
Rot. Bonds4

About 1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide

1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 119857361) has the molecular formula C16H21F2N3O and a molecular weight of 309.36 g/mol. Its IUPAC name is 1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID119857361
Molecular FormulaC16H21F2N3O
Molecular Weight309.36 g/mol
Exact Mass309.17
IUPAC Name1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C16H21F2N3O/c17-13-2-1-11(9-14(13)18)10-21-7-3-12(4-8-21)20-15(22)16(19)5-6-16/h1-2,9,12H,3-8,10,19H2,(H,20,22)
InChIKeyXTKZSNPXUUPAKM-UHFFFAOYSA-N
XLogP1.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-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

1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
CID 6102824
1-Benzyl-4-(methylamino)piperidine-4-carboxamide
CID 96411
1-Benzyl-4-(propylamino)piperidine-4-carboxamide
CID 70574
Ksp-IA
CID 24901494
(1S)-1-{[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]carbonyl}-2,2-dimethylpropylamine
CID 24901496
1-Piperidineacetamide, N-(diphenylmethyl)-
CID 216494
1-Piperidineacetamide, 4-methyl-N-(phenylmethyl)-
CID 972703
1-Benzyl-4-(ethylamino)piperidine-4-carboxamide
CID 70567
1-Benzyl-4-(cyclohexylamino)piperidine-4-carboxamide
CID 70584
(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one
CID 23646443
1'-(4-Fluorobenzyl)-1,4'-bipiperidine-4'-carboxamide
CID 1830278

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide (CID 119857361) is 1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide is NC1(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is XTKZSNPXUUPAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O/c17-13-2-1-11(9-14(13)18)10-21-7-3-12(4-8-21)20-15(22)16(19)5-6-16/h1-2,9,12H,3-8,10,19H2,(H,20,22).
What are the key properties of 1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide?
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 309.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119857361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).