[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone

C19H20N4O — CID 95313622

IUPAC[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccc2)c1)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C19H20N4O/c24-19(16-5-3-6-17(13-16)21-9-1-2-10-21)22-11-4-7-18(14-22)23-12-8-20-15-23/h1-3,5-6,8-10,12-13,15,18H,4,7,11,14H2/t18-/m0/s1
InChIKeyBKKHFOKKNSQJTG-SFHVURJKSA-N
MW320.40 g/mol
LogP3.15
Rot. Bonds3

About [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone

[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone (PubChem CID 95313622) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
PubChem CID95313622
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccc2)c1)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C19H20N4O/c24-19(16-5-3-6-17(13-16)21-9-1-2-10-21)22-11-4-7-18(14-22)23-12-8-20-15-23/h1-3,5-6,8-10,12-13,15,18H,4,7,11,14H2/t18-/m0/s1
InChIKeyBKKHFOKKNSQJTG-SFHVURJKSA-N
XLogP3.15
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312405
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 111561042
(3-imidazol-1-ylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 122147578
3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 95569131
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 25355501
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 95340983
imidazo[1,2-a]pyridin-2-yl-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95350987
1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63031103
(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 166209446
5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide
CID 95319281

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone (CID 95313622) is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone is O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H](n2ccnc2)C1.
What is the InChIKey of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
The InChIKey is BKKHFOKKNSQJTG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(16-5-3-6-17(13-16)21-9-1-2-10-21)22-11-4-7-18(14-22)23-12-8-20-15-23/h1-3,5-6,8-10,12-13,15,18H,4,7,11,14H2/t18-/m0/s1.
What are the key properties of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone has a molecular weight of 320.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 95313622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).