1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone

C14H22N4O — CID 77094981

IUPAC1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone
SMILESO=C(CC1CCNC1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C14H22N4O/c19-13(9-11-1-4-15-10-11)18-7-2-12(3-8-18)14-16-5-6-17-14/h5-6,11-12,15H,1-4,7-10H2,(H,16,17)
InChIKeyQXIFOOVJEWRTNK-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.12
Rot. Bonds3

About 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone

1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone (PubChem CID 77094981) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone
PubChem CID77094981
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone
SMILESO=C(CC1CCNC1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C14H22N4O/c19-13(9-11-1-4-15-10-11)18-7-2-12(3-8-18)14-16-5-6-17-14/h5-6,11-12,15H,1-4,7-10H2,(H,16,17)
InChIKeyQXIFOOVJEWRTNK-UHFFFAOYSA-N
XLogP1.12
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone 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

Treamid
CID 86567101
(2S,4S)-4-[(2,2-dimethylpropanoyl)amino]-N-(1H-imidazol-2-ylmethyl)-1-methylpyrrolidine-2-carboxamide
CID 56718025
4-[4-(1H-imidazol-2-yl)-1-piperidinyl]-4-oxo-1-butanesulfonamide
CID 70746595
3-(1H-imidazol-2-yl)-1-[3-(4H-1,2,4-triazol-4-yl)propanoyl]piperidine
CID 70763873
8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70777182
3-(1H-imidazol-2-yl)-1-(4,4,4-trifluorobutanoyl)piperidine
CID 70783442
8-(1H-Imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72852965
8-(1H-imidazol-2-ylmethyl)-2-(3-methyl-2-buten-1-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 72867383
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 75424556
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 84585406
3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 95817633
4-{[4-(1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-1-methyl-2-imidazolidinone
CID 70773690

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone (CID 77094981) is 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone is O=C(CC1CCNC1)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone?
The InChIKey is QXIFOOVJEWRTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-13(9-11-1-4-15-10-11)18-7-2-12(3-8-18)14-16-5-6-17-14/h5-6,11-12,15H,1-4,7-10H2,(H,16,17).
What are the key properties of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone?
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone has a molecular weight of 262.36 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 77094981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).