ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate

C19H34N4O3 — CID 143591983

IUPACethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(N(C(N)=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C19H34N4O3/c1-2-26-19(25)22-13-10-17(14-22)21-11-8-16(9-12-21)23(18(20)24)15-6-4-3-5-7-15/h15-17H,2-14H2,1H3,(H2,20,24)
InChIKeyDBDAWFWTFMQZHP-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.39
Rot. Bonds4

About ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate

ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate (PubChem CID 143591983) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate
PubChem CID143591983
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Nameethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(N(C(N)=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C19H34N4O3/c1-2-26-19(25)22-13-10-17(14-22)21-11-8-16(9-12-21)23(18(20)24)15-6-4-3-5-7-15/h15-17H,2-14H2,1H3,(H2,20,24)
InChIKeyDBDAWFWTFMQZHP-UHFFFAOYSA-N
XLogP2.39
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea
CID 70308947
ethyl (3S)-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 59403066
ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818
2,2,2-trifluoroethyl 3-piperidin-1-ylpyrrolidine-1-carboxylate
CID 63719362
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate
CID 162757671
1-cyclohexyl-1-(4-propoxycyclohexyl)urea
CID 141312120
ethyl 3-(9-oxa-2-azaspiro[5.5]undecan-2-yl)pyrrolidine-1-carboxylate
CID 131936680
ethyl 4-[4-(cyclohexylcarbamoyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074692
ethyl 4-[ethyl(methyl)amino]piperidine-1-carboxylate
CID 143591988
ethyl 4-(dimethylamino)-3-methoxypiperidine-1-carboxylate
CID 58035265
1-cyclohexyl-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea
CID 67489629

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate (CID 143591983) is ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(N(C(N)=O)C3CCCCC3)CC2)C1.
What is the InChIKey of ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate?
The InChIKey is DBDAWFWTFMQZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-2-26-19(25)22-13-10-17(14-22)21-11-8-16(9-12-21)23(18(20)24)15-6-4-3-5-7-15/h15-17H,2-14H2,1H3,(H2,20,24).
What are the key properties of ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate?
ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate has a molecular weight of 366.51 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 143591983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).