3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide

C16H24N4O2 — CID 119424459

IUPAC3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide
SMILESCc1ccccc1C(CC(=O)NC1CCCNC1)NC(N)=O
InChIInChI=1S/C16H24N4O2/c1-11-5-2-3-7-13(11)14(20-16(17)22)9-15(21)19-12-6-4-8-18-10-12/h2-3,5,7,12,14,18H,4,6,8-10H2,1H3,(H,19,21)(H3,17,20,22)
InChIKeyDLATWFADFIHAHF-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.96
Rot. Bonds5

About 3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide

3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide (PubChem CID 119424459) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide
PubChem CID119424459
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide
SMILESCc1ccccc1C(CC(=O)NC1CCCNC1)NC(N)=O
InChIInChI=1S/C16H24N4O2/c1-11-5-2-3-7-13(11)14(20-16(17)22)9-15(21)19-12-6-4-8-18-10-12/h2-3,5,7,12,14,18H,4,6,8-10H2,1H3,(H,19,21)(H3,17,20,22)
InChIKeyDLATWFADFIHAHF-UHFFFAOYSA-N
XLogP0.96
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide
CID 119619279
[3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea
CID 119487798
4-methyl-3-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424594
N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine
CID 81373256
3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450732
2-(3-methyl-2-pyridinyl)-N-[(3S)-piperidin-3-yl]acetamide
CID 107148570
3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide
CID 56547355
3-(carbamoylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methylphenyl)propanamide
CID 120891752
N-(2-amino-2-methylpropyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide
CID 119625989
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
4-[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]butanoic acid
CID 119352945
N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride
CID 119323136

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide (CID 119424459) is 3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide is Cc1ccccc1C(CC(=O)NC1CCCNC1)NC(N)=O.
What is the InChIKey of 3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide?
The InChIKey is DLATWFADFIHAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-5-2-3-7-13(11)14(20-16(17)22)9-15(21)19-12-6-4-8-18-10-12/h2-3,5,7,12,14,18H,4,6,8-10H2,1H3,(H,19,21)(H3,17,20,22).
What are the key properties of 3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide?
3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide has a molecular weight of 304.39 g/mol, XLogP of 0.96, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 119424459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).