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

C15H28N2O2 — CID 97011282

IUPACN-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)13(18)16-9-12-7-6-8-17(10-12)14(19)15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,18)/t12-/m0/s1
InChIKeyHUXRUXNCTRPJDM-LBPRGKRZSA-N
MW268.40 g/mol
LogP2.04
Rot. Bonds3

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

N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 97011282) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
PubChem CID97011282
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)13(18)16-9-12-7-6-8-17(10-12)14(19)15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,18)/t12-/m0/s1
InChIKeyHUXRUXNCTRPJDM-LBPRGKRZSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241776
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide
CID 71934329
N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]-2-methylpropanamide;hydrochloride
CID 119761592
N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 119761565
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183250
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
3-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]-5-nitrobenzoic acid
CID 119183245
tert-butyl 3-[(2-methylbutanoylamino)methyl]piperidine-1-carboxylate
CID 60618286
tert-butyl 3-[[[(2S)-2-aminopropanoyl]amino]methyl]piperidine-1-carboxylate
CID 66564087
N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95297629
[1-(2-bromo-2-methylpropanoyl)piperidin-3-yl]methylurea
CID 114328264

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide (CID 97011282) is N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is HUXRUXNCTRPJDM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)13(18)16-9-12-7-6-8-17(10-12)14(19)15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 268.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 97011282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).