N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide

C20H29N3O3 — CID 43066089

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C20H29N3O3/c1-4-15-8-5-6-10-17(15)22-18(24)12-21-19(25)16-9-7-11-23(13-16)20(26)14(2)3/h5-6,8,10,14,16H,4,7,9,11-13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyCDELVQNHNYCOLQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.20
Rot. Bonds6

About N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide

N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide (PubChem CID 43066089) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
PubChem CID43066089
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C20H29N3O3/c1-4-15-8-5-6-10-17(15)22-18(24)12-21-19(25)16-9-7-11-23(13-16)20(26)14(2)3/h5-6,8,10,14,16H,4,7,9,11-13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyCDELVQNHNYCOLQ-UHFFFAOYSA-N
XLogP2.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
CID 24512754
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 31263103
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
(3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 51937811
methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate
CID 43431630
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
(3S)-3-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-1,3-dicarboxamide
CID 51924999
(3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686700
(3R)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 40938053
methyl (3S)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294336

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide (CID 43066089) is N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide is CCc1ccccc1NC(=O)CNC(=O)C1CCCN(C(=O)C(C)C)C1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The InChIKey is CDELVQNHNYCOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-15-8-5-6-10-17(15)22-18(24)12-21-19(25)16-9-7-11-23(13-16)20(26)14(2)3/h5-6,8,10,14,16H,4,7,9,11-13H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 43066089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).