N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride

C15H22ClN3O2 — CID 119465004

IUPACN-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
SMILESCl.NCC1CCCN(C(=O)CNC(=O)c2ccccc2)C1
InChIInChI=1S/C15H21N3O2.ClH/c16-9-12-5-4-8-18(11-12)14(19)10-17-15(20)13-6-2-1-3-7-13;/h1-3,6-7,12H,4-5,8-11,16H2,(H,17,20);1H
InChIKeyXJTPERLRNCQLSO-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.04
Rot. Bonds4

About N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride

N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride (PubChem CID 119465004) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
PubChem CID119465004
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
SMILESCl.NCC1CCCN(C(=O)CNC(=O)c2ccccc2)C1
InChIInChI=1S/C15H21N3O2.ClH/c16-9-12-5-4-8-18(11-12)14(19)10-17-15(20)13-6-2-1-3-7-13;/h1-3,6-7,12H,4-5,8-11,16H2,(H,17,20);1H
InChIKeyXJTPERLRNCQLSO-UHFFFAOYSA-N
XLogP1.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride
CID 119380136
N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
CID 166176480
N-[4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119487124
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 43403363
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119484282
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide
CID 30580744
N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 119313487
N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119398775
methyl 2-[1-[(3S)-1-(2-benzamidoacetyl)piperidine-3-carbonyl]piperidin-4-yl]acetate
CID 95860362
N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride
CID 119766235
methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
CID 84579845

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride (CID 119465004) is N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride is Cl.NCC1CCCN(C(=O)CNC(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is XJTPERLRNCQLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c16-9-12-5-4-8-18(11-12)14(19)10-17-15(20)13-6-2-1-3-7-13;/h1-3,6-7,12H,4-5,8-11,16H2,(H,17,20);1H.
What are the key properties of N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 119465004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).