N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide

C14H29N3O — CID 106832156

IUPACN-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide
SMILESCCC(C)N(C)CCNC(=O)C1CCNC(C)C1
InChIInChI=1S/C14H29N3O/c1-5-12(3)17(4)9-8-16-14(18)13-6-7-15-11(2)10-13/h11-13,15H,5-10H2,1-4H3,(H,16,18)
InChIKeyHPXQSIUYEPUTTM-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.22
Rot. Bonds6

About N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide

N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 106832156) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide
PubChem CID106832156
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide
SMILESCCC(C)N(C)CCNC(=O)C1CCNC(C)C1
InChIInChI=1S/C14H29N3O/c1-5-12(3)17(4)9-8-16-14(18)13-6-7-15-11(2)10-13/h11-13,15H,5-10H2,1-4H3,(H,16,18)
InChIKeyHPXQSIUYEPUTTM-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
CID 120635200
N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 103814267
(2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636684
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 113267515
(2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635209
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120624764
(2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624137
2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid
CID 114006821
N-(cyanomethyl)-2-methylpiperidine-4-carboxamide
CID 106739785

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide (CID 106832156) is N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide is CCC(C)N(C)CCNC(=O)C1CCNC(C)C1.
What is the InChIKey of N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is HPXQSIUYEPUTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-12(3)17(4)9-8-16-14(18)13-6-7-15-11(2)10-13/h11-13,15H,5-10H2,1-4H3,(H,16,18).
What are the key properties of N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide?
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106832156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).