(3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide

C17H24N2O3 — CID 100651991

IUPAC(3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide
SMILESCc1cc(C)c(CC(=O)N2CCC[C@@](O)(C(N)=O)C2)c(C)c1
InChIInChI=1S/C17H24N2O3/c1-11-7-12(2)14(13(3)8-11)9-15(20)19-6-4-5-17(22,10-19)16(18)21/h7-8,22H,4-6,9-10H2,1-3H3,(H2,18,21)/t17-/m0/s1
InChIKeyYPVBENCTWPVOBI-KRWDZBQOSA-N
MW304.39 g/mol
LogP0.99
Rot. Bonds3

About (3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide

(3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide (PubChem CID 100651991) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide
PubChem CID100651991
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide
SMILESCc1cc(C)c(CC(=O)N2CCC[C@@](O)(C(N)=O)C2)c(C)c1
InChIInChI=1S/C17H24N2O3/c1-11-7-12(2)14(13(3)8-11)9-15(20)19-6-4-5-17(22,10-19)16(18)21/h7-8,22H,4-6,9-10H2,1-3H3,(H2,18,21)/t17-/m0/s1
InChIKeyYPVBENCTWPVOBI-KRWDZBQOSA-N
XLogP0.99
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-1-[2-(2-methyl-1-benzofuran-3-yl)acetyl]piperidine-3-carboxamide
CID 129351915
(3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 100652020
(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129486382
1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 128988914
(3S)-1-[2-(3-fluorophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485444
(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129491751
1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 128964748
3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 128964564
1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 118772715
1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964411
1-(4-chloro-2-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964687
(3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129353762

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide (CID 100651991) is (3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide is Cc1cc(C)c(CC(=O)N2CCC[C@@](O)(C(N)=O)C2)c(C)c1.
What is the InChIKey of (3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is YPVBENCTWPVOBI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-7-12(2)14(13(3)8-11)9-15(20)19-6-4-5-17(22,10-19)16(18)21/h7-8,22H,4-6,9-10H2,1-3H3,(H2,18,21)/t17-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide?
(3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 100651991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).