(4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone

C19H26N2O — CID 154865644

IUPAC(4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(C2CC2)cc1)N1CCCC(C2CCNC2)C1
InChIInChI=1S/C19H26N2O/c22-19(16-7-5-15(6-8-16)14-3-4-14)21-11-1-2-18(13-21)17-9-10-20-12-17/h5-8,14,17-18,20H,1-4,9-13H2
InChIKeyVFVHVCRIQITQNT-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.03
Rot. Bonds3

About (4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone

(4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone (PubChem CID 154865644) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is (4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone
PubChem CID154865644
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name(4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(C2CC2)cc1)N1CCCC(C2CCNC2)C1
InChIInChI=1S/C19H26N2O/c22-19(16-7-5-15(6-8-16)14-3-4-14)21-11-1-2-18(13-21)17-9-10-20-12-17/h5-8,14,17-18,20H,1-4,9-13H2
InChIKeyVFVHVCRIQITQNT-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 167899187
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
CID 120658106
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 120656131
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 120658105
1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 166328161
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
4-[(3aS,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]benzoic acid
CID 124701574
N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide
CID 128771647
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone (CID 154865644) is (4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone is O=C(c1ccc(C2CC2)cc1)N1CCCC(C2CCNC2)C1.
What is the InChIKey of (4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone?
The InChIKey is VFVHVCRIQITQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c22-19(16-7-5-15(6-8-16)14-3-4-14)21-11-1-2-18(13-21)17-9-10-20-12-17/h5-8,14,17-18,20H,1-4,9-13H2.
What are the key properties of (4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone?
(4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone has a molecular weight of 298.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 154865644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).