N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride

C17H29Cl2N3O — CID 120885911

IUPACN-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
SMILESCN1CCC(C(=O)N(CCN)CCc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-19-11-8-16(9-12-19)17(21)20(14-10-18)13-7-15-5-3-2-4-6-15;;/h2-6,16H,7-14,18H2,1H3;2*1H
InChIKeyAJCDAYLNYPZWOP-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.20
Rot. Bonds6

About N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride

N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 120885911) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID120885911
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC NameN-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
SMILESCN1CCC(C(=O)N(CCN)CCc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-19-11-8-16(9-12-19)17(21)20(14-10-18)13-7-15-5-3-2-4-6-15;;/h2-6,16H,7-14,18H2,1H3;2*1H
InChIKeyAJCDAYLNYPZWOP-UHFFFAOYSA-N
XLogP2.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide;dihydrochloride
CID 120884651
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 120884652
4-N-(2-aminoethyl)-1-N,1-N-dimethyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 120885596
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347235
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 120885269
3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 120885796
N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120884310
N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride
CID 120884901
N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120886137
N-(2-aminoethyl)-1-tert-butyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120885635
N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride
CID 120884829

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride (CID 120885911) is N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride is CN1CCC(C(=O)N(CCN)CCc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is AJCDAYLNYPZWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-19-11-8-16(9-12-19)17(21)20(14-10-18)13-7-15-5-3-2-4-6-15;;/h2-6,16H,7-14,18H2,1H3;2*1H.
What are the key properties of N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride?
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120885911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).