[4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone

C19H24N4O — CID 95861977

IUPAC[4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone
SMILESO=C(c1cccc([C@H]2CCNC2)c1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C19H24N4O/c24-19(16-3-1-2-15(12-16)17-4-7-20-13-17)23-10-5-14(6-11-23)18-21-8-9-22-18/h1-3,8-9,12,14,17,20H,4-7,10-11,13H2,(H,21,22)/t17-/m0/s1
InChIKeyUDPCNNCANMOOCT-KRWDZBQOSA-N
MW324.43 g/mol
LogP2.51
Rot. Bonds3

About [4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone

[4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone (PubChem CID 95861977) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone
PubChem CID95861977
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone
SMILESO=C(c1cccc([C@H]2CCNC2)c1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C19H24N4O/c24-19(16-3-1-2-15(12-16)17-4-7-20-13-17)23-10-5-14(6-11-23)18-21-8-9-22-18/h1-3,8-9,12,14,17,20H,4-7,10-11,13H2,(H,21,22)/t17-/m0/s1
InChIKeyUDPCNNCANMOOCT-KRWDZBQOSA-N
XLogP2.51
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-imidazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone
CID 70720892
(3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110725789
piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride
CID 172654432
[4-(1H-imidazol-2-yl)piperidin-1-yl]-[4-(piperidin-3-ylmethyl)phenyl]methanone;dihydrochloride
CID 154893197
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 74242488
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70749250
6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one
CID 72919174
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-[3-[(3S)-piperidin-3-yl]phenyl]methanone
CID 97192779
(3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 155955172
[3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
CID 97199073
5-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 70741466

Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone?
The IUPAC name of [4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone (CID 95861977) is [4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone.
What is the SMILES notation for [4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone?
The canonical SMILES for [4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone is O=C(c1cccc([C@H]2CCNC2)c1)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of [4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone?
The InChIKey is UDPCNNCANMOOCT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(16-3-1-2-15(12-16)17-4-7-20-13-17)23-10-5-14(6-11-23)18-21-8-9-22-18/h1-3,8-9,12,14,17,20H,4-7,10-11,13H2,(H,21,22)/t17-/m0/s1.
What are the key properties of [4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone?
[4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone has a molecular weight of 324.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone is sourced from PubChem (CID 95861977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).