[(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone

C19H26N2O2 — CID 110285877

IUPAC[(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCC(C)CC1
InChIInChI=1S/C19H26N2O2/c1-14-9-12-20(13-10-14)19(23)17-8-5-11-21(17)18(22)16-7-4-3-6-15(16)2/h3-4,6-7,14,17H,5,8-13H2,1-2H3/t17-/m0/s1
InChIKeyPLFRAIFCAKUTTF-KRWDZBQOSA-N
MW314.43 g/mol
LogP2.86
Rot. Bonds2

About [(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone

[(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 110285877) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is [(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID110285877
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name[(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCC(C)CC1
InChIInChI=1S/C19H26N2O2/c1-14-9-12-20(13-10-14)19(23)17-8-5-11-21(17)18(22)16-7-4-3-6-15(16)2/h3-4,6-7,14,17H,5,8-13H2,1-2H3/t17-/m0/s1
InChIKeyPLFRAIFCAKUTTF-KRWDZBQOSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(4-tert-butylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285892
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone
CID 94011491
1-(2-fluorophenyl)-4-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110625753
(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 70253538
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 46744827
(E)-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 110305827
(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 119032862
1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 110285901
benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 3556516
[(2S)-1-(2,3-dimethylquinoxaline-6-carbonyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110305814

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 110285877) is [(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone is Cc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCC(C)CC1.
What is the InChIKey of [(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is PLFRAIFCAKUTTF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-9-12-20(13-10-14)19(23)17-8-5-11-21(17)18(22)16-7-4-3-6-15(16)2/h3-4,6-7,14,17H,5,8-13H2,1-2H3/t17-/m0/s1.
What are the key properties of [(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone?
[(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 314.43 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110285877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).