1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide

C15H28N4O3 — CID 49444435

IUPAC1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(C)C(=O)NC(N)=O)C1
InChIInChI=1S/C15H28N4O3/c1-4-6-10(2)17-14(21)12-7-5-8-19(9-12)11(3)13(20)18-15(16)22/h10-12H,4-9H2,1-3H3,(H,17,21)(H3,16,18,20,22)
InChIKeyJGCBMWVWAAZEQD-UHFFFAOYSA-N
MW312.41 g/mol
LogP0.59
Rot. Bonds6

About 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide

1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 49444435) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID49444435
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(C)C(=O)NC(N)=O)C1
InChIInChI=1S/C15H28N4O3/c1-4-6-10(2)17-14(21)12-7-5-8-19(9-12)11(3)13(20)18-15(16)22/h10-12H,4-9H2,1-3H3,(H,17,21)(H3,16,18,20,22)
InChIKeyJGCBMWVWAAZEQD-UHFFFAOYSA-N
XLogP0.59
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81360759
methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate
CID 79038248
N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119917040
(3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 94378645
1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763227
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 26598322
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide
CID 112630191
2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride
CID 119925653
N-carbamoyl-2-[4-(ethylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119928173
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679

Frequently Asked Questions

What is the IUPAC name of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide (CID 49444435) is 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(C(C)C(=O)NC(N)=O)C1.
What is the InChIKey of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is JGCBMWVWAAZEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-4-6-10(2)17-14(21)12-7-5-8-19(9-12)11(3)13(20)18-15(16)22/h10-12H,4-9H2,1-3H3,(H,17,21)(H3,16,18,20,22).
What are the key properties of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide?
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 49444435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).