1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C18H25N3O2 — CID 51101219

IUPAC1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(N2CCCC2C(N)=O)CC1
InChIInChI=1S/C18H25N3O2/c1-13-5-2-3-6-15(13)18(23)20-11-8-14(9-12-20)21-10-4-7-16(21)17(19)22/h2-3,5-6,14,16H,4,7-12H2,1H3,(H2,19,22)
InChIKeyLIPMWMDTQYPHKB-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.55
Rot. Bonds3

About 1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide

1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 51101219) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID51101219
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(N2CCCC2C(N)=O)CC1
InChIInChI=1S/C18H25N3O2/c1-13-5-2-3-6-15(13)18(23)20-11-8-14(9-12-20)21-10-4-7-16(21)17(19)22/h2-3,5-6,14,16H,4,7-12H2,1H3,(H2,19,22)
InChIKeyLIPMWMDTQYPHKB-UHFFFAOYSA-N
XLogP1.55
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95765435
(2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95149907
(2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 94822612
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
1-[1-(4-cyclopropyl-2-methylpyrimidine-5-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 139005587
(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 70253538
(2-methylphenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559771
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
2-[1-(2-methylbenzoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082504
(2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 52500753
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133421983

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 51101219) is 1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide is Cc1ccccc1C(=O)N1CCC(N2CCCC2C(N)=O)CC1.
What is the InChIKey of 1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is LIPMWMDTQYPHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-5-2-3-6-15(13)18(23)20-11-8-14(9-12-20)21-10-4-7-16(21)17(19)22/h2-3,5-6,14,16H,4,7-12H2,1H3,(H2,19,22).
What are the key properties of 1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51101219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).