3-[(3-formylpiperidin-1-yl)methyl]benzamide

C14H18N2O2 — CID 62656741

IUPAC3-[(3-formylpiperidin-1-yl)methyl]benzamide
SMILESNC(=O)c1cccc(CN2CCCC(C=O)C2)c1
InChIInChI=1S/C14H18N2O2/c15-14(18)13-5-1-3-11(7-13)8-16-6-2-4-12(9-16)10-17/h1,3,5,7,10,12H,2,4,6,8-9H2,(H2,15,18)
InChIKeyKCPOTTVXXWEFGI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.20
Rot. Bonds4

About 3-[(3-formylpiperidin-1-yl)methyl]benzamide

3-[(3-formylpiperidin-1-yl)methyl]benzamide (PubChem CID 62656741) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[(3-formylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(3-formylpiperidin-1-yl)methyl]benzamide
PubChem CID62656741
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-[(3-formylpiperidin-1-yl)methyl]benzamide
SMILESNC(=O)c1cccc(CN2CCCC(C=O)C2)c1
InChIInChI=1S/C14H18N2O2/c15-14(18)13-5-1-3-11(7-13)8-16-6-2-4-12(9-16)10-17/h1,3,5,7,10,12H,2,4,6,8-9H2,(H2,15,18)
InChIKeyKCPOTTVXXWEFGI-UHFFFAOYSA-N
XLogP1.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-benzylpiperidine-3-carbaldehyde
CID 86316318
3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119925700
3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119917602
(3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 94798301
1-benzylazepane-3-carbaldehyde
CID 83910081
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride
CID 119927575
3-(1,4-diazepan-1-ylmethyl)benzamide;hydrochloride
CID 119906487
3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661
N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62656016
[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 60527564
3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide
CID 154743427
1-[[3-[3-(dimethylamino)prop-2-enoyl]phenyl]methyl]piperidine-3-carboxamide
CID 69457437

Frequently Asked Questions

What is the IUPAC name of 3-[(3-formylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of 3-[(3-formylpiperidin-1-yl)methyl]benzamide (CID 62656741) is 3-[(3-formylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-[(3-formylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for 3-[(3-formylpiperidin-1-yl)methyl]benzamide is NC(=O)c1cccc(CN2CCCC(C=O)C2)c1.
What is the InChIKey of 3-[(3-formylpiperidin-1-yl)methyl]benzamide?
The InChIKey is KCPOTTVXXWEFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-14(18)13-5-1-3-11(7-13)8-16-6-2-4-12(9-16)10-17/h1,3,5,7,10,12H,2,4,6,8-9H2,(H2,15,18).
What are the key properties of 3-[(3-formylpiperidin-1-yl)methyl]benzamide?
3-[(3-formylpiperidin-1-yl)methyl]benzamide has a molecular weight of 246.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-formylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 62656741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).