1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride

C16H30ClN3O2 — CID 119510783

IUPAC1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCCC(C)C(=O)N1CCCC(C(=O)NCC2CCCN2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-12(2)16(21)19-9-5-6-13(11-19)15(20)18-10-14-7-4-8-17-14;/h12-14,17H,3-11H2,1-2H3,(H,18,20);1H
InChIKeyLGGSVIBXVSOWTA-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.56
Rot. Bonds5

About 1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride

1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119510783) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119510783
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCCC(C)C(=O)N1CCCC(C(=O)NCC2CCCN2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-12(2)16(21)19-9-5-6-13(11-19)15(20)18-10-14-7-4-8-17-14;/h12-14,17H,3-11H2,1-2H3,(H,18,20);1H
InChIKeyLGGSVIBXVSOWTA-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 111460809
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
2-[2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242528
1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide
CID 119512673
N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119475324
N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide
CID 79152562
1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
CID 119510299
cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678615
N-[(2-ethoxyphenyl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 51106693

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride (CID 119510783) is 1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride is CCC(C)C(=O)N1CCCC(C(=O)NCC2CCCN2)C1.Cl.
What is the InChIKey of 1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is LGGSVIBXVSOWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-3-12(2)16(21)19-9-5-6-13(11-19)15(20)18-10-14-7-4-8-17-14;/h12-14,17H,3-11H2,1-2H3,(H,18,20);1H.
What are the key properties of 1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119510783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).