5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride

C27H32ClN3O3 — CID 172912613

IUPAC5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cccc(-c2cccc3cc(C(=O)N[C@@H]4CCNC[C@H]4O)ccc23)c1.Cl
InChIInChI=1S/C27H31N3O3.ClH/c1-3-30(4-2)27(33)21-9-5-7-19(16-21)22-10-6-8-18-15-20(11-12-23(18)22)26(32)29-24-13-14-28-17-25(24)31;/h5-12,15-16,24-25,28,31H,3-4,13-14,17H2,1-2H3,(H,29,32);1H/t24-,25-;/m1./s1
InChIKeyHIBNADPWFHRXIZ-JIMLSGQQSA-N
MW482.02 g/mol
LogP3.86
Rot. Bonds6

About 5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride

5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride (PubChem CID 172912613) has the molecular formula C27H32ClN3O3 and a molecular weight of 482.02 g/mol. Its IUPAC name is 5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride
PubChem CID172912613
Molecular FormulaC27H32ClN3O3
Molecular Weight482.02 g/mol
Exact Mass481.21
IUPAC Name5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cccc(-c2cccc3cc(C(=O)N[C@@H]4CCNC[C@H]4O)ccc23)c1.Cl
InChIInChI=1S/C27H31N3O3.ClH/c1-3-30(4-2)27(33)21-9-5-7-19(16-21)22-10-6-8-18-15-20(11-12-23(18)22)26(32)29-24-13-14-28-17-25(24)31;/h5-12,15-16,24-25,28,31H,3-4,13-14,17H2,1-2H3,(H,29,32);1H/t24-,25-;/m1./s1
InChIKeyHIBNADPWFHRXIZ-JIMLSGQQSA-N
XLogP3.86
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.02
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide
CID 172661154
N,N-diethyl-3-[6-[(3R)-3-fluoropyrrolidine-1-carbonyl]naphthalen-1-yl]benzamide
CID 172661171
methyl 3-[4-[[(3R,4R)-3-hydroxypiperidin-4-yl]carbamoyl]phenyl]benzoate
CID 119070407
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-(1-methylindazol-5-yl)benzamide;hydrochloride
CID 154906145
N-[(3R,4S)-3-hydroxypiperidin-4-yl]benzamide
CID 15096814
N-[(3R,4R)-4-hydroxypiperidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide;dihydrochloride
CID 154903592
N,N-diethyl-5-hydroxynaphthalene-2-carboxamide
CID 172677597
N,N-diethylphenanthrene-2-carboxamide
CID 15466572
N-[(3R,4R)-4-hydroxypiperidin-3-yl]-3-(4-methylsulfonylphenyl)benzamide;hydrochloride
CID 154906975
3-(diethylsulfamoyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556196
4-(3,5-dimethoxyphenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide
CID 121498106
N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 120553090

Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of 5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride (CID 172912613) is 5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride is CCN(CC)C(=O)c1cccc(-c2cccc3cc(C(=O)N[C@@H]4CCNC[C@H]4O)ccc23)c1.Cl.
What is the InChIKey of 5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride?
The InChIKey is HIBNADPWFHRXIZ-JIMLSGQQSA-N. The full InChI is InChI=1S/C27H31N3O3.ClH/c1-3-30(4-2)27(33)21-9-5-7-19(16-21)22-10-6-8-18-15-20(11-12-23(18)22)26(32)29-24-13-14-28-17-25(24)31;/h5-12,15-16,24-25,28,31H,3-4,13-14,17H2,1-2H3,(H,29,32);1H/t24-,25-;/m1./s1.
What are the key properties of 5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride?
5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride has a molecular weight of 482.02 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylcarbamoyl)phenyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 172912613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).