1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one

C21H29N5O — CID 72911781

IUPAC1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)N1CCCC1
InChIInChI=1S/C21H29N5O/c1-17(24-11-4-5-12-24)21(27)25-13-7-18(8-14-25)20-23-10-15-26(20)16-19-6-2-3-9-22-19/h2-3,6,9-10,15,17-18H,4-5,7-8,11-14,16H2,1H3
InChIKeyYMSJSBLMVZUIFA-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.52
Rot. Bonds5

About 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one

1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 72911781) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
PubChem CID72911781
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)N1CCCC1
InChIInChI=1S/C21H29N5O/c1-17(24-11-4-5-12-24)21(27)25-13-7-18(8-14-25)20-23-10-15-26(20)16-19-6-2-3-9-22-19/h2-3,6,9-10,15,17-18H,4-5,7-8,11-14,16H2,1H3
InChIKeyYMSJSBLMVZUIFA-UHFFFAOYSA-N
XLogP2.52
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97276264
1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 72865254
[(3R)-1-methylpiperidin-3-yl]-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97122863
1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione
CID 72888914
(1-cyclopropylpyrrol-2-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72841949
2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazol-5-yl-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 134086412
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72863746
4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide
CID 3680928
2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 70765708
(2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97132360
(2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97283623
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 3860958

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one (CID 72911781) is 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)N1CCCC1.
What is the InChIKey of 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is YMSJSBLMVZUIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-17(24-11-4-5-12-24)21(27)25-13-7-18(8-14-25)20-23-10-15-26(20)16-19-6-2-3-9-22-19/h2-3,6,9-10,15,17-18H,4-5,7-8,11-14,16H2,1H3.
What are the key properties of 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 367.50 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 72911781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).