1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea

C15H22N4O2 — CID 86788679

IUPAC1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea
SMILESCc1ccc(NC(=O)NCCC(=O)N2CCCCC2)nc1
InChIInChI=1S/C15H22N4O2/c1-12-5-6-13(17-11-12)18-15(21)16-8-7-14(20)19-9-3-2-4-10-19/h5-6,11H,2-4,7-10H2,1H3,(H2,16,17,18,21)
InChIKeyLQPNUKBZKASKTF-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.91
Rot. Bonds4

About 1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea

1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea (PubChem CID 86788679) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea
PubChem CID86788679
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea
SMILESCc1ccc(NC(=O)NCCC(=O)N2CCCCC2)nc1
InChIInChI=1S/C15H22N4O2/c1-12-5-6-13(17-11-12)18-15(21)16-8-7-14(20)19-9-3-2-4-10-19/h5-6,11H,2-4,7-10H2,1H3,(H2,16,17,18,21)
InChIKeyLQPNUKBZKASKTF-UHFFFAOYSA-N
XLogP1.91
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 112696676
3-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111416221
1-[3-(azepan-1-yl)-3-oxopropyl]-3-(1,3-oxazol-2-yl)urea
CID 91650594
1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557
1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
CID 108903057
1-hexyl-3-(5-methyl-2-pyridinyl)urea
CID 158285971
3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
CID 136519955
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826154
3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 51103073
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
N-[3-(azepan-1-yl)-3-oxopropyl]-2,3-dihydroxy-4-methylbenzamide
CID 167804588
1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900857

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea (CID 86788679) is 1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea is Cc1ccc(NC(=O)NCCC(=O)N2CCCCC2)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea?
The InChIKey is LQPNUKBZKASKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12-5-6-13(17-11-12)18-15(21)16-8-7-14(20)19-9-3-2-4-10-19/h5-6,11H,2-4,7-10H2,1H3,(H2,16,17,18,21).
What are the key properties of 1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea?
1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea has a molecular weight of 290.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 86788679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).