1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

C21H31N3O2 — CID 55814773

IUPAC1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(N3CCCC3)c2)CC1
InChIInChI=1S/C21H31N3O2/c1-21(2,3)20(26)24-13-9-16(10-14-24)19(25)22-17-7-6-8-18(15-17)23-11-4-5-12-23/h6-8,15-16H,4-5,9-14H2,1-3H3,(H,22,25)
InChIKeyMCLNSSVASJVBJG-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.51
Rot. Bonds3

About 1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 55814773) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
PubChem CID55814773
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(N3CCCC3)c2)CC1
InChIInChI=1S/C21H31N3O2/c1-21(2,3)20(26)24-13-9-16(10-14-24)19(25)22-17-7-6-8-18(15-17)23-11-4-5-12-23/h6-8,15-16H,4-5,9-14H2,1-3H3,(H,22,25)
InChIKeyMCLNSSVASJVBJG-UHFFFAOYSA-N
XLogP3.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224314
N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 86978864
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55900938
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
1-(2,2-dimethylpropanoyl)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]piperidine-4-carboxamide
CID 51949323
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
N-[4-(dimethylamino)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 113008056
N-(2-methyl-5-pyrrolidin-1-ylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110361733
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (CID 55814773) is 1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(N3CCCC3)c2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is MCLNSSVASJVBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-21(2,3)20(26)24-13-9-16(10-14-24)19(25)22-17-7-6-8-18(15-17)23-11-4-5-12-23/h6-8,15-16H,4-5,9-14H2,1-3H3,(H,22,25).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55814773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).