N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide

C14H20N4O2 — CID 119277383

IUPACN-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)Nc1ccc(CNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C14H20N4O2/c15-14(20)18-12-5-3-10(4-6-12)8-17-13(19)11-2-1-7-16-9-11/h3-6,11,16H,1-2,7-9H2,(H,17,19)(H3,15,18,20)
InChIKeyNTHFQAIBHRZFRM-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.79
Rot. Bonds4

About N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide

N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119277383) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide
PubChem CID119277383
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)Nc1ccc(CNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C14H20N4O2/c15-14(20)18-12-5-3-10(4-6-12)8-17-13(19)11-2-1-7-16-9-11/h3-6,11,16H,1-2,7-9H2,(H,17,19)(H3,15,18,20)
InChIKeyNTHFQAIBHRZFRM-UHFFFAOYSA-N
XLogP0.79
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277382
N-[4-[(carbamoylamino)methyl]phenyl]piperidine-3-carboxamide
CID 119308510
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119311250
N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277230
(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
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide
CID 60876167

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide (CID 119277383) is N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide is NC(=O)Nc1ccc(CNC(=O)C2CCCNC2)cc1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is NTHFQAIBHRZFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-14(20)18-12-5-3-10(4-6-12)8-17-13(19)11-2-1-7-16-9-11/h3-6,11,16H,1-2,7-9H2,(H,17,19)(H3,15,18,20).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide?
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.79, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119277383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).