1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride

C16H30ClN3O2 — CID 119554864

IUPAC1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCCN(C(=O)C(C)(C)C)C1)C1CCNC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-16(2,3)15(21)19-9-5-6-12(11-19)14(20)18(4)13-7-8-17-10-13;/h12-13,17H,5-11H2,1-4H3;1H
InChIKeyONYPBKVZXSAWDA-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.51
Rot. Bonds2

About 1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride

1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119554864) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID119554864
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCCN(C(=O)C(C)(C)C)C1)C1CCNC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-16(2,3)15(21)19-9-5-6-12(11-19)14(20)18(4)13-7-8-17-10-13;/h12-13,17H,5-11H2,1-4H3;1H
InChIKeyONYPBKVZXSAWDA-UHFFFAOYSA-N
XLogP1.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119554865
1-butanoyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119443592
N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119532621
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
1-(2,2-dimethylpropanoyl)-N,N-bis(prop-2-enyl)piperidine-3-carboxamide
CID 47998464
3-N-methyl-1-N-(2-methylpropyl)-3-N-piperidin-4-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119442831
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119552345
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 119205313
N-(3-amino-4-methylpentyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119661450
1-(azepan-1-yl)-2-[methyl(pyrrolidin-3-yl)amino]ethanone;hydrochloride
CID 119922846
3-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228476

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride (CID 119554864) is 1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride is CN(C(=O)C1CCCN(C(=O)C(C)(C)C)C1)C1CCNC1.Cl.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is ONYPBKVZXSAWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-16(2,3)15(21)19-9-5-6-12(11-19)14(20)18(4)13-7-8-17-10-13;/h12-13,17H,5-11H2,1-4H3;1H.
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.51, 2 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-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119554864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).