2-[[(3S)-piperidin-3-yl]methyl]benzamide

C13H18N2O — CID 154457528

IUPAC2-[[(3S)-piperidin-3-yl]methyl]benzamide
SMILESNC(=O)c1ccccc1C[C@@H]1CCCNC1
InChIInChI=1S/C13H18N2O/c14-13(16)12-6-2-1-5-11(12)8-10-4-3-7-15-9-10/h1-2,5-6,10,15H,3-4,7-9H2,(H2,14,16)/t10-/m0/s1
InChIKeyKMJLHUSWGIWMCW-JTQLQIEISA-N
MW218.30 g/mol
LogP1.33
Rot. Bonds3

About 2-[[(3S)-piperidin-3-yl]methyl]benzamide

2-[[(3S)-piperidin-3-yl]methyl]benzamide (PubChem CID 154457528) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[[(3S)-piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[(3S)-piperidin-3-yl]methyl]benzamide
PubChem CID154457528
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[[(3S)-piperidin-3-yl]methyl]benzamide
SMILESNC(=O)c1ccccc1C[C@@H]1CCCNC1
InChIInChI=1S/C13H18N2O/c14-13(16)12-6-2-1-5-11(12)8-10-4-3-7-15-9-10/h1-2,5-6,10,15H,3-4,7-9H2,(H2,14,16)/t10-/m0/s1
InChIKeyKMJLHUSWGIWMCW-JTQLQIEISA-N
XLogP1.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(piperidin-3-ylmethyl)benzoic acid
CID 84786861
3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine
CID 66809492
2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 69169822
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
2,5-bis(pyrrolidin-3-ylmethyl)benzamide
CID 152557233
2-[(1,1-dioxothietan-3-yl)methyl]benzamide
CID 141441544
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
2-(piperidin-3-ylmethoxy)pyridine-3-carboxamide
CID 55065117
2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide
CID 140548089
2-[(4-methylpiperidin-3-yl)oxymethyl]benzamide
CID 102954062
2-(azetidin-3-yloxymethyl)benzamide
CID 63106815

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-piperidin-3-yl]methyl]benzamide?
The IUPAC name of 2-[[(3S)-piperidin-3-yl]methyl]benzamide (CID 154457528) is 2-[[(3S)-piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-[[(3S)-piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-[[(3S)-piperidin-3-yl]methyl]benzamide is NC(=O)c1ccccc1C[C@@H]1CCCNC1.
What is the InChIKey of 2-[[(3S)-piperidin-3-yl]methyl]benzamide?
The InChIKey is KMJLHUSWGIWMCW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O/c14-13(16)12-6-2-1-5-11(12)8-10-4-3-7-15-9-10/h1-2,5-6,10,15H,3-4,7-9H2,(H2,14,16)/t10-/m0/s1.
What are the key properties of 2-[[(3S)-piperidin-3-yl]methyl]benzamide?
2-[[(3S)-piperidin-3-yl]methyl]benzamide has a molecular weight of 218.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 154457528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).