N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide

C12H24N2O — CID 95187387

IUPACN-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(CC(C)C)C1
InChIInChI=1S/C12H24N2O/c1-10(2)8-14-6-4-5-12(9-14)7-13-11(3)15/h10,12H,4-9H2,1-3H3,(H,13,15)/t12-/m0/s1
InChIKeyAKOFIUIWCSTBIF-LBPRGKRZSA-N
MW212.34 g/mol
LogP1.49
Rot. Bonds4

About N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide

N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide (PubChem CID 95187387) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
PubChem CID95187387
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(CC(C)C)C1
InChIInChI=1S/C12H24N2O/c1-10(2)8-14-6-4-5-12(9-14)7-13-11(3)15/h10,12H,4-9H2,1-3H3,(H,13,15)/t12-/m0/s1
InChIKeyAKOFIUIWCSTBIF-LBPRGKRZSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 154886846
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide
CID 58877734
N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one
CID 83982945
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356
3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95226078
4-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 56714920
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 95215756
N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide
CID 86854641
N-[[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554564
N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554565

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide (CID 95187387) is N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCCN(CC(C)C)C1.
What is the InChIKey of N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is AKOFIUIWCSTBIF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)8-14-6-4-5-12(9-14)7-13-11(3)15/h10,12H,4-9H2,1-3H3,(H,13,15)/t12-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide?
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 212.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 95187387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).