N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide

C14H27N3O2 — CID 119629275

IUPACN-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)NCC(C)(C)N)C1
InChIInChI=1S/C14H27N3O2/c1-4-6-12(18)17-8-5-7-11(9-17)13(19)16-10-14(2,3)15/h11H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyWWDVHICBABAQGG-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.88
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide

N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide (PubChem CID 119629275) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
PubChem CID119629275
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)NCC(C)(C)N)C1
InChIInChI=1S/C14H27N3O2/c1-4-6-12(18)17-8-5-7-11(9-17)13(19)16-10-14(2,3)15/h11H,4-10,15H2,1-3H3,(H,16,19)
InChIKeyWWDVHICBABAQGG-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate
CID 60527593
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
2-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methylpentanoic acid
CID 119192417
1-butanoyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 60527795
2-[2-[(1-butanoylpiperidine-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242681
N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119643117
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119627004
1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120947710
N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119626264
(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
CID 94884745

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide (CID 119629275) is N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)NCC(C)(C)N)C1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide?
The InChIKey is WWDVHICBABAQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-6-12(18)17-8-5-7-11(9-17)13(19)16-10-14(2,3)15/h11H,4-10,15H2,1-3H3,(H,16,19).
What are the key properties of N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide?
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide is sourced from PubChem (CID 119629275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).