4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide

C22H26N2O3 — CID 126432469

IUPAC4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
SMILESC[C@@H](O)c1ccc(-c2ccc(C(=O)NCCN3CCCCC3=O)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-16(25)17-5-7-18(8-6-17)19-9-11-20(12-10-19)22(27)23-13-15-24-14-3-2-4-21(24)26/h5-12,16,25H,2-4,13-15H2,1H3,(H,23,27)/t16-/m1/s1
InChIKeyYGTALZNBJNHZSP-MRXNPFEDSA-N
MW366.46 g/mol
LogP3.15
Rot. Bonds6

About 4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide

4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide (PubChem CID 126432469) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
PubChem CID126432469
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
SMILESC[C@@H](O)c1ccc(-c2ccc(C(=O)NCCN3CCCCC3=O)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-16(25)17-5-7-18(8-6-17)19-9-11-20(12-10-19)22(27)23-13-15-24-14-3-2-4-21(24)26/h5-12,16,25H,2-4,13-15H2,1H3,(H,23,27)/t16-/m1/s1
InChIKeyYGTALZNBJNHZSP-MRXNPFEDSA-N
XLogP3.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
CID 39514014
N-[2-(2-oxopiperidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 110722740
3-acetamido-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
CID 110743652
4-(4-chloro-2-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 121497318
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515011
2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 91793022
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515012
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 134046699
4-cyano-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 39959545
4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
1-oxido-N-[3-(2-oxoazepan-1-yl)propyl]pyridin-1-ium-4-carboxamide
CID 134025902

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide (CID 126432469) is 4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide is C[C@@H](O)c1ccc(-c2ccc(C(=O)NCCN3CCCCC3=O)cc2)cc1.
What is the InChIKey of 4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide?
The InChIKey is YGTALZNBJNHZSP-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(25)17-5-7-18(8-6-17)19-9-11-20(12-10-19)22(27)23-13-15-24-14-3-2-4-21(24)26/h5-12,16,25H,2-4,13-15H2,1H3,(H,23,27)/t16-/m1/s1.
What are the key properties of 4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide?
4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 126432469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).