N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide

C19H22N2O3 — CID 70719980

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide
SMILESO=C(CCC(=O)c1cccc2ccccc12)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C19H22N2O3/c22-17(15-7-3-5-13-4-1-2-6-14(13)15)8-9-19(24)21-16-10-11-20-12-18(16)23/h1-7,16,18,20,23H,8-12H2,(H,21,24)/t16-,18-/m1/s1
InChIKeyHQXVCVCVZUORCU-SJLPKXTDSA-N
MW326.40 g/mol
LogP1.64
Rot. Bonds5

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide (PubChem CID 70719980) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide
PubChem CID70719980
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide
SMILESO=C(CCC(=O)c1cccc2ccccc12)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C19H22N2O3/c22-17(15-7-3-5-13-4-1-2-6-14(13)15)8-9-19(24)21-16-10-11-20-12-18(16)23/h1-7,16,18,20,23H,8-12H2,(H,21,24)/t16-,18-/m1/s1
InChIKeyHQXVCVCVZUORCU-SJLPKXTDSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide (CID 70719980) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide is O=C(CCC(=O)c1cccc2ccccc12)N[C@@H]1CCNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide?
The InChIKey is HQXVCVCVZUORCU-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-17(15-7-3-5-13-4-1-2-6-14(13)15)8-9-19(24)21-16-10-11-20-12-18(16)23/h1-7,16,18,20,23H,8-12H2,(H,21,24)/t16-,18-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide has a molecular weight of 326.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide is sourced from PubChem (CID 70719980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).