N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide

C15H28N2O2 — CID 71934329

IUPACN-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-5-7-13(18)16-10-12-8-6-9-17(11-12)14(19)15(2,3)4/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyZHTJTVCPHPXEGY-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.19
Rot. Bonds4

About N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide

N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide (PubChem CID 71934329) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide
PubChem CID71934329
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-5-7-13(18)16-10-12-8-6-9-17(11-12)14(19)15(2,3)4/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyZHTJTVCPHPXEGY-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide
CID 119761645
N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 97011282
2,2-dimethyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241776
N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159
5-[3-[(butanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183261
N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95304598
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
CID 95297467
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide
CID 95158748
N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119310763
N-[[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]methyl]butanamide
CID 120929380

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide (CID 71934329) is N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide is CCCC(=O)NCC1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide?
The InChIKey is ZHTJTVCPHPXEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-7-13(18)16-10-12-8-6-9-17(11-12)14(19)15(2,3)4/h12H,5-11H2,1-4H3,(H,16,18).
What are the key properties of N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide?
N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide has a molecular weight of 268.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 71934329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).