[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone

C22H32N2O2 — CID 1087323

IUPAC[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@@H]1CCCCN1C(=O)c1ccc(C(=O)N2CCCC[C@@H]2CC)cc1
InChIInChI=1S/C22H32N2O2/c1-3-19-9-5-7-15-23(19)21(25)17-11-13-18(14-12-17)22(26)24-16-8-6-10-20(24)4-2/h11-14,19-20H,3-10,15-16H2,1-2H3/t19-,20+
InChIKeyLSDKNQRDUJFQDP-BGYRXZFFSA-N
MW356.51 g/mol
LogP4.50
Rot. Bonds4

About [4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone

[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone (PubChem CID 1087323) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is [4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
PubChem CID1087323
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@@H]1CCCCN1C(=O)c1ccc(C(=O)N2CCCC[C@@H]2CC)cc1
InChIInChI=1S/C22H32N2O2/c1-3-19-9-5-7-15-23(19)21(25)17-11-13-18(14-12-17)22(26)24-16-8-6-10-20(24)4-2/h11-14,19-20H,3-10,15-16H2,1-2H3/t19-,20+
InChIKeyLSDKNQRDUJFQDP-BGYRXZFFSA-N
XLogP4.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110619094
(2-ethylpiperidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111331478
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
(2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 71984061
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
[4-(1,3-dithian-2-yl)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 86979053
4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 51218665
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone?
The IUPAC name of [4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone (CID 1087323) is [4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone?
The canonical SMILES for [4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone is CC[C@@H]1CCCCN1C(=O)c1ccc(C(=O)N2CCCC[C@@H]2CC)cc1.
What is the InChIKey of [4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone?
The InChIKey is LSDKNQRDUJFQDP-BGYRXZFFSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-3-19-9-5-7-15-23(19)21(25)17-11-13-18(14-12-17)22(26)24-16-8-6-10-20(24)4-2/h11-14,19-20H,3-10,15-16H2,1-2H3/t19-,20+.
What are the key properties of [4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone?
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone has a molecular weight of 356.51 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone is sourced from PubChem (CID 1087323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).