1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea

C18H26N4O2 — CID 97351700

IUPAC1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea
SMILESC[C@@H](N(C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)C1(C)CC1
InChIInChI=1S/C18H26N4O2/c1-13(18(2)8-9-18)21(3)17(24)20-15-7-5-11-22(16(15)23)14-6-4-10-19-12-14/h4,6,10,12-13,15H,5,7-9,11H2,1-3H3,(H,20,24)/t13-,15-/m1/s1
InChIKeyHGOCRDUQNIOWRM-UKRRQHHQSA-N
MW330.43 g/mol
LogP2.41
Rot. Bonds4

About 1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea

1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea (PubChem CID 97351700) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea
PubChem CID97351700
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea
SMILESC[C@@H](N(C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)C1(C)CC1
InChIInChI=1S/C18H26N4O2/c1-13(18(2)8-9-18)21(3)17(24)20-15-7-5-11-22(16(15)23)14-6-4-10-19-12-14/h4,6,10,12-13,15H,5,7-9,11H2,1-3H3,(H,20,24)/t13-,15-/m1/s1
InChIKeyHGOCRDUQNIOWRM-UKRRQHHQSA-N
XLogP2.41
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea with MolForge

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Related Compounds

1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
CID 166208852
N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)furan-2-carboxamide
CID 75503381
methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate
CID 124616584
(3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 124886074
1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
CID 126820989
(3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one
CID 129429821
(3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 129447691
1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590960
5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile
CID 124885543
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)propanamide
CID 126777989
(3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 124886125
2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 141312593

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea?
The IUPAC name of 1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea (CID 97351700) is 1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea.
What is the SMILES notation for 1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea?
The canonical SMILES for 1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea is C[C@@H](N(C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)C1(C)CC1.
What is the InChIKey of 1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea?
The InChIKey is HGOCRDUQNIOWRM-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(18(2)8-9-18)21(3)17(24)20-15-7-5-11-22(16(15)23)14-6-4-10-19-12-14/h4,6,10,12-13,15H,5,7-9,11H2,1-3H3,(H,20,24)/t13-,15-/m1/s1.
What are the key properties of 1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea?
1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea has a molecular weight of 330.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea is sourced from PubChem (CID 97351700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).