(2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

C17H24N2O — CID 116559771

IUPAC(2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESCc1ccccc1C(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C17H24N2O/c1-13-5-2-3-6-15(13)17(20)16-7-4-12-19(16)14-8-10-18-11-9-14/h2-3,5-6,14,16,18H,4,7-12H2,1H3
InChIKeyDLPKIVJRQAGMGM-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.39
Rot. Bonds3

About (2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

(2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (PubChem CID 116559771) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
PubChem CID116559771
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESCc1ccccc1C(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C17H24N2O/c1-13-5-2-3-6-15(13)17(20)16-7-4-12-19(16)14-8-10-18-11-9-14/h2-3,5-6,14,16,18H,4,7-12H2,1H3
InChIKeyDLPKIVJRQAGMGM-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559689
1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 51101219
[4-(2-methylphenoxy)phenyl]-(1-pyrrolidin-3-ylpyrrolidin-2-yl)methanone
CID 69324715
(2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60979228
(3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559770
3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one
CID 116559712
(3-bromofuran-2-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559716
2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
CID 116559754
N-(6-methyl-2-pyridinyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61019426
N-(5-methyl-2-pyridinyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61019544
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The IUPAC name of (2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (CID 116559771) is (2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for (2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is Cc1ccccc1C(=O)C1CCCN1C1CCNCC1.
What is the InChIKey of (2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The InChIKey is DLPKIVJRQAGMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-5-2-3-6-15(13)17(20)16-7-4-12-19(16)14-8-10-18-11-9-14/h2-3,5-6,14,16,18H,4,7-12H2,1H3.
What are the key properties of (2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
(2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone has a molecular weight of 272.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 116559771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).