N-[(3S)-1-benzylpiperidin-3-yl]acetamide

C14H20N2O — CID 58526543

IUPACN-[(3S)-1-benzylpiperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-12(17)15-14-8-5-9-16(11-14)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H,15,17)/t14-/m0/s1
InChIKeyMGTPZEGFFWIFPK-AWEZNQCLSA-N
MW232.33 g/mol
LogP1.79
Rot. Bonds3

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

N-[(3S)-1-benzylpiperidin-3-yl]acetamide (PubChem CID 58526543) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(3S)-1-benzylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpiperidin-3-yl]acetamide
PubChem CID58526543
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(3S)-1-benzylpiperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-12(17)15-14-8-5-9-16(11-14)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H,15,17)/t14-/m0/s1
InChIKeyMGTPZEGFFWIFPK-AWEZNQCLSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 134803652
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpiperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-benzylpiperidin-3-yl]acetamide (CID 58526543) is N-[(3S)-1-benzylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-benzylpiperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-benzylpiperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-benzylpiperidin-3-yl]acetamide?
The InChIKey is MGTPZEGFFWIFPK-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(17)15-14-8-5-9-16(11-14)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H,15,17)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpiperidin-3-yl]acetamide?
N-[(3S)-1-benzylpiperidin-3-yl]acetamide has a molecular weight of 232.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpiperidin-3-yl]acetamide is sourced from PubChem (CID 58526543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).