N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride

C18H30Cl2N4O2 — CID 119480715

IUPACN-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride
SMILESCN(C)C(C(=O)N1CCCC(C(=O)NCCN)C1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H28N4O2.2ClH/c1-21(2)16(14-7-4-3-5-8-14)18(24)22-12-6-9-15(13-22)17(23)20-11-10-19;;/h3-5,7-8,15-16H,6,9-13,19H2,1-2H3,(H,20,23);2*1H
InChIKeyAHBMYGLNHSEYQH-UHFFFAOYSA-N
MW405.37 g/mol
LogP1.45
Rot. Bonds6

About N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride

N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119480715) has the molecular formula C18H30Cl2N4O2 and a molecular weight of 405.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119480715
Molecular FormulaC18H30Cl2N4O2
Molecular Weight405.37 g/mol
Exact Mass404.17
IUPAC NameN-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride
SMILESCN(C)C(C(=O)N1CCCC(C(=O)NCCN)C1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H28N4O2.2ClH/c1-21(2)16(14-7-4-3-5-8-14)18(24)22-12-6-9-15(13-22)17(23)20-11-10-19;;/h3-5,7-8,15-16H,6,9-13,19H2,1-2H3,(H,20,23);2*1H
InChIKeyAHBMYGLNHSEYQH-UHFFFAOYSA-N
XLogP1.45
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119479891
N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481152
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CID 119481611
N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480023
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
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1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119323511

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride (CID 119480715) is N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride is CN(C)C(C(=O)N1CCCC(C(=O)NCCN)C1)c1ccccc1.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is AHBMYGLNHSEYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.2ClH/c1-21(2)16(14-7-4-3-5-8-14)18(24)22-12-6-9-15(13-22)17(23)20-11-10-19;;/h3-5,7-8,15-16H,6,9-13,19H2,1-2H3,(H,20,23);2*1H.
What are the key properties of N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride?
N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 405.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119480715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).