N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide

C16H22N2O — CID 43709653

IUPACN-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)C1CCCCN1
InChIInChI=1S/C16H22N2O/c19-16(14-8-4-5-11-17-14)18-15(13-9-10-13)12-6-2-1-3-7-12/h1-3,6-7,13-15,17H,4-5,8-11H2,(H,18,19)
InChIKeyPHOYUFWUFFRUPV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.40
Rot. Bonds4

About N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide

N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide (PubChem CID 43709653) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide
PubChem CID43709653
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)C1CCCCN1
InChIInChI=1S/C16H22N2O/c19-16(14-8-4-5-11-17-14)18-15(13-9-10-13)12-6-2-1-3-7-12/h1-3,6-7,13-15,17H,4-5,8-11H2,(H,18,19)
InChIKeyPHOYUFWUFFRUPV-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide
CID 64564390
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
(2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 61253815
(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide
CID 101392822
(2R)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913042
(2S)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913043
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
(2R)-N-[(R)-cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95283633
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240
(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide
CID 103807955

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide (CID 43709653) is N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide is O=C(NC(c1ccccc1)C1CC1)C1CCCCN1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide?
The InChIKey is PHOYUFWUFFRUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(14-8-4-5-11-17-14)18-15(13-9-10-13)12-6-2-1-3-7-12/h1-3,6-7,13-15,17H,4-5,8-11H2,(H,18,19).
What are the key properties of N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide?
N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 43709653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).