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

C16H21FN2O — CID 110482446

IUPACN-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(c2cccc(F)c2)CC1)C1CCCNC1
InChIInChI=1S/C16H21FN2O/c17-14-5-1-4-13(9-14)16(6-7-16)11-19-15(20)12-3-2-8-18-10-12/h1,4-5,9,12,18H,2-3,6-8,10-11H2,(H,19,20)
InChIKeyHGQMTIJCISGGHQ-UHFFFAOYSA-N
MW276.35 g/mol
LogP1.97
Rot. Bonds4

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

N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide (PubChem CID 110482446) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide
PubChem CID110482446
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC NameN-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(c2cccc(F)c2)CC1)C1CCCNC1
InChIInChI=1S/C16H21FN2O/c17-14-5-1-4-13(9-14)16(6-7-16)11-19-15(20)12-3-2-8-18-10-12/h1,4-5,9,12,18H,2-3,6-8,10-11H2,(H,19,20)
InChIKeyHGQMTIJCISGGHQ-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119293577
N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide
CID 119301112
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119293576
3-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119799668
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119303720
N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699128
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119308754
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide
CID 175658431
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119738816
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 119310492

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide (CID 110482446) is N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide is O=C(NCC1(c2cccc(F)c2)CC1)C1CCCNC1.
What is the InChIKey of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide?
The InChIKey is HGQMTIJCISGGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-14-5-1-4-13(9-14)16(6-7-16)11-19-15(20)12-3-2-8-18-10-12/h1,4-5,9,12,18H,2-3,6-8,10-11H2,(H,19,20).
What are the key properties of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide?
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide has a molecular weight of 276.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110482446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).