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

C13H26N2O — CID 58877734

IUPACN-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(CC(C)(C)C)C1
InChIInChI=1S/C13H26N2O/c1-11(16)14-8-12-6-5-7-15(9-12)10-13(2,3)4/h12H,5-10H2,1-4H3,(H,14,16)/t12-/m0/s1
InChIKeyGGMFZDNVRXBBDS-LBPRGKRZSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds3

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

N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide (PubChem CID 58877734) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide
PubChem CID58877734
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(CC(C)(C)C)C1
InChIInChI=1S/C13H26N2O/c1-11(16)14-8-12-6-5-7-15(9-12)10-13(2,3)4/h12H,5-10H2,1-4H3,(H,14,16)/t12-/m0/s1
InChIKeyGGMFZDNVRXBBDS-LBPRGKRZSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide
CID 86854641
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
tert-butyl 4-[[(3S)-3-(acetamidomethyl)piperidin-1-yl]methyl]benzoate
CID 99702492
N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 120897218
3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 79630442
N-[[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 86854604
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 66453803
1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 21060232
(3R)-1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 58877777
N-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetamide
CID 58877738

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide (CID 58877734) is N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCCN(CC(C)(C)C)C1.
What is the InChIKey of N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is GGMFZDNVRXBBDS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(16)14-8-12-6-5-7-15(9-12)10-13(2,3)4/h12H,5-10H2,1-4H3,(H,14,16)/t12-/m0/s1.
What are the key properties of N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide?
N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 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-dimethylpropyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 58877734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).