1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one

C12H21N3O — CID 80580952

IUPAC1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CC2CCCCN2)c1=O
InChIInChI=1S/C12H21N3O/c1-2-7-14-8-9-15(12(14)16)10-11-5-3-4-6-13-11/h8-9,11,13H,2-7,10H2,1H3
InChIKeyUBVOHDHWLKECRR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.20
Rot. Bonds4

About 1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one

1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one (PubChem CID 80580952) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one
PubChem CID80580952
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CC2CCCCN2)c1=O
InChIInChI=1S/C12H21N3O/c1-2-7-14-8-9-15(12(14)16)10-11-5-3-4-6-13-11/h8-9,11,13H,2-7,10H2,1H3
InChIKeyUBVOHDHWLKECRR-UHFFFAOYSA-N
XLogP1.20
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(piperidin-4-yl)-2,3-dihydro-1H-imidazol-2-one
CID 12850602
3,3-Dimethyl-1-(piperidin-3-yl)urea
CID 67338659
1,1-Dimethyl-3-(1-methylpiperidin-3-yl)urea
CID 91618734
3-(1-Butylpiperidin-3-yl)-1,1-dimethylurea
CID 119088551
N-cyclopentyl-4-(propan-2-yl)piperazine-1-carboxamide
CID 17174347
N-cyclopentyl-4-methylpiperazine-1-carboxamide
CID 17174361
4-butyl-N-cyclopentylpiperazine-1-carboxamide
CID 17185788
1-Ethyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 19598436
N-hexyl-4-propan-2-ylpiperazine-1-carboxamide
CID 21325927
(3-methyl-2H-imidazol-1-yl)-(2-methylpiperidin-1-yl)methanone
CID 22047766
N-cyclopentyl-N-methylpiperazine-1-carboxamide
CID 43267073
1-cyclopentyl-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 52722382

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one?
The IUPAC name of 1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one (CID 80580952) is 1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one.
What is the SMILES notation for 1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one?
The canonical SMILES for 1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one is CCCn1ccn(CC2CCCCN2)c1=O.
What is the InChIKey of 1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one?
The InChIKey is UBVOHDHWLKECRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-7-14-8-9-15(12(14)16)10-11-5-3-4-6-13-11/h8-9,11,13H,2-7,10H2,1H3.
What are the key properties of 1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one?
1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-2-ylmethyl)-3-propylimidazol-2-one is sourced from PubChem (CID 80580952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).