N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride

C22H30ClN3O2 — CID 120567780

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)NC(CN)c2ccc3ccccc3c2)C1.Cl
InChIInChI=1S/C22H29N3O2.ClH/c1-2-6-21(26)25-12-5-9-19(15-25)22(27)24-20(14-23)18-11-10-16-7-3-4-8-17(16)13-18;/h3-4,7-8,10-11,13,19-20H,2,5-6,9,12,14-15,23H2,1H3,(H,24,27);1H
InChIKeyFJVDKRXGOAQXCC-UHFFFAOYSA-N
MW403.95 g/mol
LogP3.42
Rot. Bonds6

About N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride (PubChem CID 120567780) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
PubChem CID120567780
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)NC(CN)c2ccc3ccccc3c2)C1.Cl
InChIInChI=1S/C22H29N3O2.ClH/c1-2-6-21(26)25-12-5-9-19(15-25)22(27)24-20(14-23)18-11-10-16-7-3-4-8-17(16)13-18;/h3-4,7-8,10-11,13,19-20H,2,5-6,9,12,14-15,23H2,1H3,(H,24,27);1H
InChIKeyFJVDKRXGOAQXCC-UHFFFAOYSA-N
XLogP3.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568002
4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 119201418
1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide
CID 167749206
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 95352112
3-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219172
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
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165985
1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 109388022
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
N-(2-amino-1-naphthalen-2-ylethyl)oxolane-3-carboxamide
CID 120567741
4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547104

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride (CID 120567780) is N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride is CCCC(=O)N1CCCC(C(=O)NC(CN)c2ccc3ccccc3c2)C1.Cl.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is FJVDKRXGOAQXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.ClH/c1-2-6-21(26)25-12-5-9-19(15-25)22(27)24-20(14-23)18-11-10-16-7-3-4-8-17(16)13-18;/h3-4,7-8,10-11,13,19-20H,2,5-6,9,12,14-15,23H2,1H3,(H,24,27);1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 403.95 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120567780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).