3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride

C19H25ClN4O2 — CID 120568002

IUPAC3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCCN(C(N)=O)C1)c1ccc2ccccc2c1
InChIInChI=1S/C19H24N4O2.ClH/c20-11-17(15-8-7-13-4-1-2-5-14(13)10-15)22-18(24)16-6-3-9-23(12-16)19(21)25;/h1-2,4-5,7-8,10,16-17H,3,6,9,11-12,20H2,(H2,21,25)(H,22,24);1H
InChIKeyAKBSQALHFOWSDS-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.17
Rot. Bonds4

About 3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride

3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride (PubChem CID 120568002) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride
PubChem CID120568002
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCCN(C(N)=O)C1)c1ccc2ccccc2c1
InChIInChI=1S/C19H24N4O2.ClH/c20-11-17(15-8-7-13-4-1-2-5-14(13)10-15)22-18(24)16-6-3-9-23(12-16)19(21)25;/h1-2,4-5,7-8,10,16-17H,3,6,9,11-12,20H2,(H2,21,25)(H,22,24);1H
InChIKeyAKBSQALHFOWSDS-UHFFFAOYSA-N
XLogP2.17
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120567780
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CID 167749206
3-N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 103944669
N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120567582
N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167942312
N-(2-amino-1-naphthalen-2-ylethyl)oxolane-3-carboxamide
CID 120567741
(2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 120567464
3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide
CID 43022867
N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120597776
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 125148264
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 95352112
N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 120567823

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride (CID 120568002) is 3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride is Cl.NCC(NC(=O)C1CCCN(C(N)=O)C1)c1ccc2ccccc2c1.
What is the InChIKey of 3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride?
The InChIKey is AKBSQALHFOWSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c20-11-17(15-8-7-13-4-1-2-5-14(13)10-15)22-18(24)16-6-3-9-23(12-16)19(21)25;/h1-2,4-5,7-8,10,16-17H,3,6,9,11-12,20H2,(H2,21,25)(H,22,24);1H.
What are the key properties of 3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride?
3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 120568002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).