(3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide

C24H31N3O3 — CID 8545424

IUPAC(3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C24H31N3O3/c1-2-27(23(28)17-26-14-6-9-21(16-26)24(25)29)15-19-10-12-22(13-11-19)30-18-20-7-4-3-5-8-20/h3-5,7-8,10-13,21H,2,6,9,14-18H2,1H3,(H2,25,29)/t21-/m0/s1
InChIKeyDFBUWHHYKKDAGM-NRFANRHFSA-N
MW409.53 g/mol
LogP2.81
Rot. Bonds9

About (3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide

(3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 8545424) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID8545424
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C24H31N3O3/c1-2-27(23(28)17-26-14-6-9-21(16-26)24(25)29)15-19-10-12-22(13-11-19)30-18-20-7-4-3-5-8-20/h3-5,7-8,10-13,21H,2,6,9,14-18H2,1H3,(H2,25,29)/t21-/m0/s1
InChIKeyDFBUWHHYKKDAGM-NRFANRHFSA-N
XLogP2.81
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 39432909
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylate
CID 2846092
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
N-ethyl-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 9341883
ethyl (3R)-1-[3-(4-phenylmethoxyphenoxy)propyl]piperidine-3-carboxylate
CID 40800660
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 56522106
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374
(3R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 8544301
2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772652

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide (CID 8545424) is (3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide is CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is DFBUWHHYKKDAGM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-2-27(23(28)17-26-14-6-9-21(16-26)24(25)29)15-19-10-12-22(13-11-19)30-18-20-7-4-3-5-8-20/h3-5,7-8,10-13,21H,2,6,9,14-18H2,1H3,(H2,25,29)/t21-/m0/s1.
What are the key properties of (3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide?
(3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 8545424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).