ethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate

C20H29N3O4 — CID 113165684

IUPACethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CC(=O)NCc2cccc(C)c2)C(C)=O)CC1
InChIInChI=1S/C20H29N3O4/c1-4-27-20(26)22-10-8-18(9-11-22)23(16(3)24)14-19(25)21-13-17-7-5-6-15(2)12-17/h5-7,12,18H,4,8-11,13-14H2,1-3H3,(H,21,25)
InChIKeyKFNSCLLIZJQIIP-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.08
Rot. Bonds6

About ethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate

ethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate (PubChem CID 113165684) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate
PubChem CID113165684
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Nameethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CC(=O)NCc2cccc(C)c2)C(C)=O)CC1
InChIInChI=1S/C20H29N3O4/c1-4-27-20(26)22-10-8-18(9-11-22)23(16(3)24)14-19(25)21-13-17-7-5-6-15(2)12-17/h5-7,12,18H,4,8-11,13-14H2,1-3H3,(H,21,25)
InChIKeyKFNSCLLIZJQIIP-UHFFFAOYSA-N
XLogP2.08
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[acetyl-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122143
ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 113122149
3-[acetyl(cycloheptyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113122642
ethyl 1-[N'-methyl-N-[(3-methylphenyl)methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111156585
ethyl 4-[acetyl-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]amino]piperidine-1-carboxylate
CID 113056390
ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165761
ethyl 4-[[5-[(3-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109232246
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165659
ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 46470868
ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992182
ethyl 4-[acetyl-[2-(3-phenylpropanoylamino)ethyl]amino]piperidine-1-carboxylate
CID 113056382

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate (CID 113165684) is ethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(CC(=O)NCc2cccc(C)c2)C(C)=O)CC1.
What is the InChIKey of ethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate?
The InChIKey is KFNSCLLIZJQIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-27-20(26)22-10-8-18(9-11-22)23(16(3)24)14-19(25)21-13-17-7-5-6-15(2)12-17/h5-7,12,18H,4,8-11,13-14H2,1-3H3,(H,21,25).
What are the key properties of ethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate?
ethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113165684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).