ethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate

C20H29ClN4O4 — CID 46381814

IUPACethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H29ClN4O4/c1-3-29-18(26)14(2)23-19(27)22-10-7-15-8-11-25(12-9-15)20(28)24-17-6-4-5-16(21)13-17/h4-6,13-15H,3,7-12H2,1-2H3,(H,24,28)(H2,22,23,27)
InChIKeyXDYGJGQQXACXPT-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.22
Rot. Bonds7

About ethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate

ethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate (PubChem CID 46381814) has the molecular formula C20H29ClN4O4 and a molecular weight of 424.93 g/mol. Its IUPAC name is ethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate
PubChem CID46381814
Molecular FormulaC20H29ClN4O4
Molecular Weight424.93 g/mol
Exact Mass424.19
IUPAC Nameethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H29ClN4O4/c1-3-29-18(26)14(2)23-19(27)22-10-7-15-8-11-25(12-9-15)20(28)24-17-6-4-5-16(21)13-17/h4-6,13-15H,3,7-12H2,1-2H3,(H,24,28)(H2,22,23,27)
InChIKeyXDYGJGQQXACXPT-UHFFFAOYSA-N
XLogP3.22
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide
CID 46381791
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903591
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
N-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151028
4-[2-[(4-butoxyphenyl)methylamino]-2-oxoethyl]-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 52998749
diethyl 2-[(3-chlorophenyl)carbamoylamino]propanedioate
CID 110495007
N-(3-chlorophenyl)-4-[2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
CID 46020635
N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
CID 93200178

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate?
The IUPAC name of ethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate (CID 46381814) is ethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate.
What is the SMILES notation for ethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate?
The canonical SMILES for ethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate is CCOC(=O)C(C)NC(=O)NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of ethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate?
The InChIKey is XDYGJGQQXACXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O4/c1-3-29-18(26)14(2)23-19(27)22-10-7-15-8-11-25(12-9-15)20(28)24-17-6-4-5-16(21)13-17/h4-6,13-15H,3,7-12H2,1-2H3,(H,24,28)(H2,22,23,27).
What are the key properties of ethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate?
ethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate has a molecular weight of 424.93 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate is sourced from PubChem (CID 46381814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).