N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide

C11H22N2O — CID 58182173

IUPACN-[(3S)-1-tert-butylpiperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(C)(C)C)C1
InChIInChI=1S/C11H22N2O/c1-9(14)12-10-6-5-7-13(8-10)11(2,3)4/h10H,5-8H2,1-4H3,(H,12,14)/t10-/m0/s1
InChIKeyPTFKALMMYWNSIN-JTQLQIEISA-N
MW198.31 g/mol
LogP1.39
Rot. Bonds1

About N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide

N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide (PubChem CID 58182173) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-tert-butylpiperidin-3-yl]acetamide
PubChem CID58182173
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[(3S)-1-tert-butylpiperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(C)(C)C)C1
InChIInChI=1S/C11H22N2O/c1-9(14)12-10-6-5-7-13(8-10)11(2,3)4/h10H,5-8H2,1-4H3,(H,12,14)/t10-/m0/s1
InChIKeyPTFKALMMYWNSIN-JTQLQIEISA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-tert-butylazetidin-3-yl)acetamide
CID 58877828
CID 58970151
CID 58970151
N-[1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidin-3-yl]acetamide
CID 80547621
N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 90438031
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
CID 126774083
tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
CID 59986888
1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide
CID 67293974
1-[4-amino-2-[(1-tert-butylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]ethanone
CID 91409364
N-[(3S)-1-tert-butylpiperidin-3-yl]prop-2-enamide;N-[(3R)-1-tert-butylpiperidin-3-yl]prop-2-enamide;1-(4-tert-butylpiperidin-1-yl)prop-2-en-1-one
CID 159928958
1-tert-butyl-N-methylpiperidine-3-carboxamide
CID 165376853
N-[1-(2,2-difluoroacetyl)piperidin-3-yl]acetamide
CID 103515094

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide (CID 58182173) is N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(C(C)(C)C)C1.
What is the InChIKey of N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide?
The InChIKey is PTFKALMMYWNSIN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(14)12-10-6-5-7-13(8-10)11(2,3)4/h10H,5-8H2,1-4H3,(H,12,14)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide?
N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide has a molecular weight of 198.31 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide is sourced from PubChem (CID 58182173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).