ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate

C19H29N3O3 — CID 42193925

IUPACethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H29N3O3/c1-4-25-18(23)12-20-19(24)22-11-5-6-17(13-22)21-16-9-7-15(8-10-16)14(2)3/h7-10,14,17,21H,4-6,11-13H2,1-3H3,(H,20,24)/t17-/m0/s1
InChIKeyCHHCPOJNCBXIBA-KRWDZBQOSA-N
MW347.46 g/mol
LogP2.96
Rot. Bonds6

About ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate

ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate (PubChem CID 42193925) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate
PubChem CID42193925
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H29N3O3/c1-4-25-18(23)12-20-19(24)22-11-5-6-17(13-22)21-16-9-7-15(8-10-16)14(2)3/h7-10,14,17,21H,4-6,11-13H2,1-3H3,(H,20,24)/t17-/m0/s1
InChIKeyCHHCPOJNCBXIBA-KRWDZBQOSA-N
XLogP2.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-1-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethanone
CID 45190494
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-2-sulfanylethanone
CID 146483126
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one
CID 45245914
ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470
methyl 4-[(3R)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]benzoate
CID 25275922
1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45235641
[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 26392166
ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate
CID 42695560
ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate
CID 112697824
5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56915957
isoquinolin-1-yl-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 42240610
[3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone
CID 24817805

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate (CID 42193925) is ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1.
What is the InChIKey of ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate?
The InChIKey is CHHCPOJNCBXIBA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-25-18(23)12-20-19(24)22-11-5-6-17(13-22)21-16-9-7-15(8-10-16)14(2)3/h7-10,14,17,21H,4-6,11-13H2,1-3H3,(H,20,24)/t17-/m0/s1.
What are the key properties of ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate has a molecular weight of 347.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 42193925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).