2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide

C20H25N3O — CID 110451979

IUPAC2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
SMILESNCc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c21-14-17-8-4-5-9-19(17)20(24)22-18-10-12-23(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15,21H2,(H,22,24)
InChIKeyADTDCXPLGQKBSM-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.54
Rot. Bonds5

About 2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide

2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide (PubChem CID 110451979) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
PubChem CID110451979
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
SMILESNCc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c21-14-17-8-4-5-9-19(17)20(24)22-18-10-12-23(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15,21H2,(H,22,24)
InChIKeyADTDCXPLGQKBSM-UHFFFAOYSA-N
XLogP2.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide
CID 26691477
2-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 139966518
[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid
CID 68709667
methyl 2-[2-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]sulfanylpropanoate
CID 55870843
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 20544688
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-[(1-benzylpiperidin-4-yl)carbamothioyl]-2-chlorobenzamide
CID 17176573

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide?
The IUPAC name of 2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide (CID 110451979) is 2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide is NCc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide?
The InChIKey is ADTDCXPLGQKBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c21-14-17-8-4-5-9-19(17)20(24)22-18-10-12-23(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15,21H2,(H,22,24).
What are the key properties of 2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide?
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide has a molecular weight of 323.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide is sourced from PubChem (CID 110451979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).