(3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide

C23H29N3O3 — CID 170507621

IUPAC(3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)CN1CC[C@@H](O)[C@@H](C(=O)NCc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H29N3O3/c1-2-24-22(28)16-26-13-12-21(27)20(15-26)23(29)25-14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,20-21,27H,2,12-16H2,1H3,(H,24,28)(H,25,29)/t20-,21+/m0/s1
InChIKeyDFUDBVAULAIACF-LEWJYISDSA-N
MW395.50 g/mol
LogP1.79
Rot. Bonds7

About (3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide

(3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 170507621) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is (3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
PubChem CID170507621
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name(3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)CN1CC[C@@H](O)[C@@H](C(=O)NCc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H29N3O3/c1-2-24-22(28)16-26-13-12-21(27)20(15-26)23(29)25-14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,20-21,27H,2,12-16H2,1H3,(H,24,28)(H,25,29)/t20-,21+/m0/s1
InChIKeyDFUDBVAULAIACF-LEWJYISDSA-N
XLogP1.79
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 26653754
N-benzyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628516
1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
CID 112568166
N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267740
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 22322835
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
(3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 97123545
1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 136579023
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide (CID 170507621) is (3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide is CCNC(=O)CN1CC[C@@H](O)[C@@H](C(=O)NCc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of (3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is DFUDBVAULAIACF-LEWJYISDSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-24-22(28)16-26-13-12-21(27)20(15-26)23(29)25-14-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,20-21,27H,2,12-16H2,1H3,(H,24,28)(H,25,29)/t20-,21+/m0/s1.
What are the key properties of (3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide?
(3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[2-(ethylamino)-2-oxoethyl]-4-hydroxy-N-[(4-phenylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 170507621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).