N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride

C22H35ClN4O2 — CID 119398967

IUPACN-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride
SMILESCNCC1CCCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)C1.Cl
InChIInChI=1S/C22H34N4O2.ClH/c1-23-15-19-9-6-12-26(17-19)21(27)20-10-13-25(14-11-20)22(28)24(2)16-18-7-4-3-5-8-18;/h3-5,7-8,19-20,23H,6,9-17H2,1-2H3;1H
InChIKeyIRMNAGFBDXSQNZ-UHFFFAOYSA-N
MW423.00 g/mol
LogP2.83
Rot. Bonds5

About N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride

N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride (PubChem CID 119398967) has the molecular formula C22H35ClN4O2 and a molecular weight of 423.00 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride
PubChem CID119398967
Molecular FormulaC22H35ClN4O2
Molecular Weight423.00 g/mol
Exact Mass422.24
IUPAC NameN-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride
SMILESCNCC1CCCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)C1.Cl
InChIInChI=1S/C22H34N4O2.ClH/c1-23-15-19-9-6-12-26(17-19)21(27)20-10-13-25(14-11-20)22(28)24(2)16-18-7-4-3-5-8-18;/h3-5,7-8,19-20,23H,6,9-17H2,1-2H3;1H
InChIKeyIRMNAGFBDXSQNZ-UHFFFAOYSA-N
XLogP2.83
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.00
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119413514
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide
CID 119596833
4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119376921
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 119540404
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
(1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119398857
[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397032
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538344
[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540587
1-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119396751

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride (CID 119398967) is N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride is CNCC1CCCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)C1.Cl.
What is the InChIKey of N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride?
The InChIKey is IRMNAGFBDXSQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2.ClH/c1-23-15-19-9-6-12-26(17-19)21(27)20-10-13-25(14-11-20)22(28)24(2)16-18-7-4-3-5-8-18;/h3-5,7-8,19-20,23H,6,9-17H2,1-2H3;1H.
What are the key properties of N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride?
N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride has a molecular weight of 423.00 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119398967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).