1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one

C18H27N3O — CID 122649713

IUPAC1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one
SMILESC/C(=C\c1ccn(C)c(=O)c1)C1CC1NCC1CCNCC1
InChIInChI=1S/C18H27N3O/c1-13(9-15-5-8-21(2)18(22)10-15)16-11-17(16)20-12-14-3-6-19-7-4-14/h5,8-10,14,16-17,19-20H,3-4,6-7,11-12H2,1-2H3/b13-9+
InChIKeyXLIWEYYRXWQREO-UKTHLTGXSA-N
MW301.43 g/mol
LogP1.77
Rot. Bonds5

About 1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one

1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one (PubChem CID 122649713) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one
PubChem CID122649713
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one
SMILESC/C(=C\c1ccn(C)c(=O)c1)C1CC1NCC1CCNCC1
InChIInChI=1S/C18H27N3O/c1-13(9-15-5-8-21(2)18(22)10-15)16-11-17(16)20-12-14-3-6-19-7-4-14/h5,8-10,14,16-17,19-20H,3-4,6-7,11-12H2,1-2H3/b13-9+
InChIKeyXLIWEYYRXWQREO-UKTHLTGXSA-N
XLogP1.77
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one with MolForge

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Related Compounds

N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-4-yl}methyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 56710306
7-(dimethylamino)-3,4-dimethyl-4a,8a-dihydro-1H-quinolin-2-one
CID 176468600
4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 171359635
1-(Difluoromethyl)-4-piperidin-4-ylpyridin-2-one
CID 59627430
3,9-dimethyl-2-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123843475
1-Cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one
CID 141141494
(3E)-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide
CID 144747398
N-[(4-fluoropiperidin-4-yl)methyl]-3-methyl-2-propan-2-yl-3,4-dihydro-2-benzazepine-6-carboxamide
CID 144867763
5-(4,4-Difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one
CID 163238151
(3E,4E)-2-methyl-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-4-propylidene-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide
CID 163957088
4-(3-fluoropiperidin-4-yl)-1H-pyridin-2-one
CID 71433112
4-[1-(5-fluoropentyl)-4-piperidinyl]-2(1H)-pyridinone formate
CID 138378074

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one (CID 122649713) is 1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one is C/C(=C\c1ccn(C)c(=O)c1)C1CC1NCC1CCNCC1.
What is the InChIKey of 1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one?
The InChIKey is XLIWEYYRXWQREO-UKTHLTGXSA-N. The full InChI is InChI=1S/C18H27N3O/c1-13(9-15-5-8-21(2)18(22)10-15)16-11-17(16)20-12-14-3-6-19-7-4-14/h5,8-10,14,16-17,19-20H,3-4,6-7,11-12H2,1-2H3/b13-9+.
What are the key properties of 1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one?
1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one has a molecular weight of 301.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-2-[2-(piperidin-4-ylmethylamino)cyclopropyl]prop-1-enyl]pyridin-2-one is sourced from PubChem (CID 122649713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).