(2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C19H27N3O3 — CID 94822612

IUPAC(2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCOc1cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccc1C
InChIInChI=1S/C19H27N3O3/c1-13-5-6-14(12-17(13)25-2)19(24)21-10-7-15(8-11-21)22-9-3-4-16(22)18(20)23/h5-6,12,15-16H,3-4,7-11H2,1-2H3,(H2,20,23)/t16-/m1/s1
InChIKeyAWLPUFFJYOVOSC-MRXNPFEDSA-N
MW345.44 g/mol
LogP1.56
Rot. Bonds4

About (2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide

(2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 94822612) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID94822612
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCOc1cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccc1C
InChIInChI=1S/C19H27N3O3/c1-13-5-6-14(12-17(13)25-2)19(24)21-10-7-15(8-11-21)22-9-3-4-16(22)18(20)23/h5-6,12,15-16H,3-4,7-11H2,1-2H3,(H2,20,23)/t16-/m1/s1
InChIKeyAWLPUFFJYOVOSC-MRXNPFEDSA-N
XLogP1.56
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 51101239
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 93033672
cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38391613
(3-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 63393366
(2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 52500753
[4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 142332387
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 86882609
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 114802000
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 94822612) is (2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide is COc1cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccc1C.
What is the InChIKey of (2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is AWLPUFFJYOVOSC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-5-6-14(12-17(13)25-2)19(24)21-10-7-15(8-11-21)22-9-3-4-16(22)18(20)23/h5-6,12,15-16H,3-4,7-11H2,1-2H3,(H2,20,23)/t16-/m1/s1.
What are the key properties of (2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
(2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 94822612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).