[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone

C28H25ClN2O3 — CID 144699624

IUPAC[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone
SMILESO=C(c1ccc(ONc2cccc3ccccc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C28H25ClN2O3/c29-25-10-4-3-9-24(25)28(33)16-18-31(19-17-28)27(32)21-12-14-22(15-13-21)34-30-26-11-5-7-20-6-1-2-8-23(20)26/h1-15,30,33H,16-19H2
InChIKeyBVEXQCOSJYCZOQ-UHFFFAOYSA-N
MW472.97 g/mol
LogP6.02
Rot. Bonds5

About [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone

[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone (PubChem CID 144699624) has the molecular formula C28H25ClN2O3 and a molecular weight of 472.97 g/mol. Its IUPAC name is [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone
PubChem CID144699624
Molecular FormulaC28H25ClN2O3
Molecular Weight472.97 g/mol
Exact Mass472.16
IUPAC Name[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone
SMILESO=C(c1ccc(ONc2cccc3ccccc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C28H25ClN2O3/c29-25-10-4-3-9-24(25)28(33)16-18-31(19-17-28)27(32)21-12-14-22(15-13-21)34-30-26-11-5-7-20-6-1-2-8-23(20)26/h1-15,30,33H,16-19H2
InChIKeyBVEXQCOSJYCZOQ-UHFFFAOYSA-N
XLogP6.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.97
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone
CID 174762267
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[(2-fluoroquinolin-5-yl)sulfonylmethyl]phenyl]methanone
CID 152867731
2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenoxy]acetic acid
CID 22399174
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(2-fluoro-2H-quinolin-1-yl)phenyl]methanone
CID 90418988
[4-(1,2,3-benzothiadiazol-4-ylsulfanylamino)phenyl]-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 146582761
2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid
CID 22399209
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[(2-methyl-1,3-benzoxazol-4-yl)sulfonylmethyl]phenyl]methanone
CID 149485819
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[(6-fluoro-1,3-benzothiazol-4-yl)sulfanylamino]phenyl]methanone
CID 144699568
3-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-2-(difluoromethoxy)anilino]-2-oxo-3-quinolin-8-ylpropanal
CID 162593704
N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-8-fluoroquinoxaline-5-sulfonamide
CID 78427898
4-benzoyl-N-naphthalen-1-ylpiperazine-1-carbothioamide
CID 25098148
ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate
CID 15124802

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone?
The IUPAC name of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone (CID 144699624) is [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone.
What is the SMILES notation for [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone?
The canonical SMILES for [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone is O=C(c1ccc(ONc2cccc3ccccc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone?
The InChIKey is BVEXQCOSJYCZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O3/c29-25-10-4-3-9-24(25)28(33)16-18-31(19-17-28)27(32)21-12-14-22(15-13-21)34-30-26-11-5-7-20-6-1-2-8-23(20)26/h1-15,30,33H,16-19H2.
What are the key properties of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone?
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone has a molecular weight of 472.97 g/mol, XLogP of 6.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-(naphthalen-1-ylamino)oxyphenyl]methanone is sourced from PubChem (CID 144699624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).