N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide

C14H20N4O2 — CID 114423130

IUPACN-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2cccc(NC(N)=O)c2)C1
InChIInChI=1S/C14H20N4O2/c1-9-5-6-16-12(7-9)13(19)17-10-3-2-4-11(8-10)18-14(15)20/h2-4,8-9,12,16H,5-7H2,1H3,(H,17,19)(H3,15,18,20)
InChIKeyOORCYTTYXJEUIQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.50
Rot. Bonds3

About N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide

N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide (PubChem CID 114423130) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide
PubChem CID114423130
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2cccc(NC(N)=O)c2)C1
InChIInChI=1S/C14H20N4O2/c1-9-5-6-16-12(7-9)13(19)17-10-3-2-4-11(8-10)18-14(15)20/h2-4,8-9,12,16H,5-7H2,1H3,(H,17,19)(H3,15,18,20)
InChIKeyOORCYTTYXJEUIQ-UHFFFAOYSA-N
XLogP1.50
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422679
4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 114422692
N-(3,4-dimethoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422606
4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 114422985
4-methyl-N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 114423238
4-methyl-N-quinolin-6-ylpiperidine-2-carboxamide
CID 114423932
N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422665
4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
CID 114422593
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide
CID 114423054
4-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 114422983
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 114424331
4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide
CID 114422736

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide (CID 114423130) is N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)Nc2cccc(NC(N)=O)c2)C1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide?
The InChIKey is OORCYTTYXJEUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-5-6-16-12(7-9)13(19)17-10-3-2-4-11(8-10)18-14(15)20/h2-4,8-9,12,16H,5-7H2,1H3,(H,17,19)(H3,15,18,20).
What are the key properties of N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide?
N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114423130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).