N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide

C18H25N3O2 — CID 119303551

IUPACN-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCCC2=O)cc1)C1CCCNC1
InChIInChI=1S/C18H25N3O2/c22-17-5-1-2-11-21(17)16-8-6-14(7-9-16)12-20-18(23)15-4-3-10-19-13-15/h6-9,15,19H,1-5,10-13H2,(H,20,23)
InChIKeyPBXUNXUTXMNDQG-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.82
Rot. Bonds4

About N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide

N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119303551) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID119303551
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCCC2=O)cc1)C1CCCNC1
InChIInChI=1S/C18H25N3O2/c22-17-5-1-2-11-21(17)16-8-6-14(7-9-16)12-20-18(23)15-4-3-10-19-13-15/h6-9,15,19H,1-5,10-13H2,(H,20,23)
InChIKeyPBXUNXUTXMNDQG-UHFFFAOYSA-N
XLogP1.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
2-hydroxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 110013970
(2S)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-2-carboxamide
CID 119694507
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119277383
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide
CID 60876167
1-(4-methylphenyl)-5-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 43013798

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide (CID 119303551) is N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccc(N2CCCCC2=O)cc1)C1CCCNC1.
What is the InChIKey of N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is PBXUNXUTXMNDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17-5-1-2-11-21(17)16-8-6-14(7-9-16)12-20-18(23)15-4-3-10-19-13-15/h6-9,15,19H,1-5,10-13H2,(H,20,23).
What are the key properties of N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119303551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).