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

C17H23F2N3O — CID 119857425

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)C1CCNC1
InChIInChI=1S/C17H23F2N3O/c18-15-2-1-12(9-16(15)19)11-22-7-4-14(5-8-22)21-17(23)13-3-6-20-10-13/h1-2,9,13-14,20H,3-8,10-11H2,(H,21,23)
InChIKeyLSDBBNGUMAGKGR-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.65
Rot. Bonds4

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

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 119857425) has the molecular formula C17H23F2N3O and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID119857425
Molecular FormulaC17H23F2N3O
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)C1CCNC1
InChIInChI=1S/C17H23F2N3O/c18-15-2-1-12(9-16(15)19)11-22-7-4-14(5-8-22)21-17(23)13-3-6-20-10-13/h1-2,9,13-14,20H,3-8,10-11H2,(H,21,23)
InChIKeyLSDBBNGUMAGKGR-UHFFFAOYSA-N
XLogP1.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(aminomethyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methoxycyclobutane-1-carboxamide
CID 166276322
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 63005959
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119857377
(1S,2R,3S,4R)-3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 118784005
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(1-hydroxypropan-2-yl)urea
CID 110901505
(2S,4S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631803
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55835804
N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide
CID 155981047
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
CID 119857402

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide (CID 119857425) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide is O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)C1CCNC1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is LSDBBNGUMAGKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O/c18-15-2-1-12(9-16(15)19)11-22-7-4-14(5-8-22)21-17(23)13-3-6-20-10-13/h1-2,9,13-14,20H,3-8,10-11H2,(H,21,23).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119857425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).