N-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide

C13H27N3O — CID 54958647

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)C1CCCCN1
InChIInChI=1S/C13H27N3O/c1-10(2)12(9-16(3)4)15-13(17)11-7-5-6-8-14-11/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyDVPSMNAOZPIMFM-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds5

About N-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide (PubChem CID 54958647) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide
PubChem CID54958647
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)C1CCCCN1
InChIInChI=1S/C13H27N3O/c1-10(2)12(9-16(3)4)15-13(17)11-7-5-6-8-14-11/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyDVPSMNAOZPIMFM-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-3-methylbutan-2-yl]azepane-2-carboxamide
CID 64562293
N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
N-(1-hydroxy-4-methylpentan-3-yl)pyrrolidine-2-carboxamide
CID 103796571
N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride
CID 119860546
(2S)-N-(4-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 104914608
N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide
CID 114240215
(2R)-N-(3-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 130934408
(2R)-N-[(1R)-1-cyclopentylethyl]piperidine-2-carboxamide
CID 104914395
(2R)-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide
CID 103812007
(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide
CID 106344923
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
N-[(1S)-1-cyclopentylethyl]azepane-2-carboxamide
CID 81390656

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide (CID 54958647) is N-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide is CC(C)C(CN(C)C)NC(=O)C1CCCCN1.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide?
The InChIKey is DVPSMNAOZPIMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)12(9-16(3)4)15-13(17)11-7-5-6-8-14-11/h10-12,14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 54958647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).