2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide

C14H29N3O — CID 76988468

IUPAC2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
SMILESCN1CCC(CN(C)C(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-14(2,3)12(15)13(18)17(5)10-11-6-8-16(4)9-7-11/h11-12H,6-10,15H2,1-5H3
InChIKeyQWJFSNQXXAIULO-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.16
Rot. Bonds3

About 2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide

2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide (PubChem CID 76988468) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
PubChem CID76988468
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
SMILESCN1CCC(CN(C)C(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-14(2,3)12(15)13(18)17(5)10-11-6-8-16(4)9-7-11/h11-12H,6-10,15H2,1-5H3
InChIKeyQWJFSNQXXAIULO-UHFFFAOYSA-N
XLogP1.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Butanyl)-6-methyl-2,5-piperazinedione
CID 45359405
(3S,6S)-3-((2S)-butan-2-yl)-6-methylpiperazine-2,5-dione
CID 71359704
(2S,3S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-methylpentan-1-one
CID 44433952
(2S,3R)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-methylpentan-1-one
CID 44433953
(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3,3-dimethylbutan-1-one
CID 44433954
2-Amino-1-(piperidin-1-yl)propan-1-one
CID 3152952
(3S,6S)-3-[(2S)-butan-2-yl]-6-propan-2-ylpiperazine-2,5-dione
CID 12086127
3,6-Di-sec-butylpiperazine-2,5-dione
CID 3252652
(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-4,4-dimethylpentan-1-one
CID 44433950
(2S,3S)-2-amino-3-methyl-1-(piperidin-1-yl)pentan-1-one
CID 10821833
2-Amino-1-(piperidin-1-yl)butan-1-one
CID 12742483
(3S,6S)-3,6-di-sec-butylpiperazine-2,5-dione
CID 16395765

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
The IUPAC name of 2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide (CID 76988468) is 2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
The canonical SMILES for 2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide is CN1CCC(CN(C)C(=O)C(N)C(C)(C)C)CC1.
What is the InChIKey of 2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
The InChIKey is QWJFSNQXXAIULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2,3)12(15)13(18)17(5)10-11-6-8-16(4)9-7-11/h11-12H,6-10,15H2,1-5H3.
What are the key properties of 2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide is sourced from PubChem (CID 76988468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).