(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide

C17H25N3O5 — CID 40918330

IUPAC(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide
SMILESCOc1cc(NC(=O)CN2CCCC[C@H]2C(N)=O)cc(OC)c1OC
InChIInChI=1S/C17H25N3O5/c1-23-13-8-11(9-14(24-2)16(13)25-3)19-15(21)10-20-7-5-4-6-12(20)17(18)22/h8-9,12H,4-7,10H2,1-3H3,(H2,18,22)(H,19,21)/t12-/m0/s1
InChIKeyRRUSNMXBRJFEGM-LBPRGKRZSA-N
MW351.40 g/mol
LogP0.99
Rot. Bonds7

About (2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide

(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide (PubChem CID 40918330) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is (2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide
PubChem CID40918330
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide
SMILESCOc1cc(NC(=O)CN2CCCC[C@H]2C(N)=O)cc(OC)c1OC
InChIInChI=1S/C17H25N3O5/c1-23-13-8-11(9-14(24-2)16(13)25-3)19-15(21)10-20-7-5-4-6-12(20)17(18)22/h8-9,12H,4-7,10H2,1-3H3,(H2,18,22)(H,19,21)/t12-/m0/s1
InChIKeyRRUSNMXBRJFEGM-LBPRGKRZSA-N
XLogP0.99
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 119910886
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide
CID 46406174
2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56542184
(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 41096237
(2R)-1-[2-(3-methylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40987938
1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43212131
2-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 42950760
(2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide
CID 41292691
(2S)-1-[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40792929
(2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 25444668
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 22878862
(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 9405076

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide (CID 40918330) is (2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide is COc1cc(NC(=O)CN2CCCC[C@H]2C(N)=O)cc(OC)c1OC.
What is the InChIKey of (2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide?
The InChIKey is RRUSNMXBRJFEGM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-23-13-8-11(9-14(24-2)16(13)25-3)19-15(21)10-20-7-5-4-6-12(20)17(18)22/h8-9,12H,4-7,10H2,1-3H3,(H2,18,22)(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide?
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 40918330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).