N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride

C20H30ClN3O2 — CID 120885269

IUPACN-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C20H29N3O2.ClH/c21-11-14-22(13-10-16-5-2-1-3-6-16)20(25)18-7-4-12-23(15-18)19(24)17-8-9-17;/h1-3,5-6,17-18H,4,7-15,21H2;1H
InChIKeyVAPAEKLNLHDDIL-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.09
Rot. Bonds7

About N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 120885269) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID120885269
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC NameN-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C20H29N3O2.ClH/c21-11-14-22(13-10-16-5-2-1-3-6-16)20(25)18-7-4-12-23(15-18)19(24)17-8-9-17;/h1-3,5-6,17-18H,4,7-15,21H2;1H
InChIKeyVAPAEKLNLHDDIL-UHFFFAOYSA-N
XLogP2.09
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)cyclohexanecarboxamide;hydrochloride
CID 120886157
2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 119196915
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride
CID 120884901
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide;dihydrochloride
CID 120884651
4-N-(2-aminoethyl)-1-N,1-N-dimethyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 120885596
N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 120649649
1-(cyclopropanecarbonyl)-N,N-bis(2-hydroxyethyl)piperidine-3-carboxamide
CID 61233609
3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120648055
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 120884652

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride (CID 120885269) is N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is VAPAEKLNLHDDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c21-11-14-22(13-10-16-5-2-1-3-6-16)20(25)18-7-4-12-23(15-18)19(24)17-8-9-17;/h1-3,5-6,17-18H,4,7-15,21H2;1H.
What are the key properties of N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120885269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).