2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene

C24H39N3O4 — CID 166107611

IUPAC2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene
SMILESCCNC(=O)N1CCCC(CCOC(N)=O)C1.COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C13H18O.C11H21N3O3/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-13-11(16)14-6-3-4-9(8-14)5-7-17-10(12)15/h2-6,12-13H,7-10H2,1H3;9H,2-8H2,1H3,(H2,12,15)(H,13,16)
InChIKeyCAZNASSRNNDUGB-UHFFFAOYSA-N
MW433.59 g/mol
LogP4.27
Rot. Bonds6

About 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene

2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene (PubChem CID 166107611) has the molecular formula C24H39N3O4 and a molecular weight of 433.59 g/mol. Its IUPAC name is 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene.

Molecular Properties

Compound Name2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene
PubChem CID166107611
Molecular FormulaC24H39N3O4
Molecular Weight433.59 g/mol
Exact Mass433.29
IUPAC Name2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene
SMILESCCNC(=O)N1CCCC(CCOC(N)=O)C1.COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C13H18O.C11H21N3O3/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-13-11(16)14-6-3-4-9(8-14)5-7-17-10(12)15/h2-6,12-13H,7-10H2,1H3;9H,2-8H2,1H3,(H2,12,15)(H,13,16)
InChIKeyCAZNASSRNNDUGB-UHFFFAOYSA-N
XLogP4.27
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate
CID 166107612
(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 95714573
3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 87007993
3-(aminomethyl)-N-ethylazepane-1-carboxamide
CID 126983283
3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide
CID 126827644
1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865414
(3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide
CID 95626437
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788858
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide
CID 97414974
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene?
The IUPAC name of 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene (CID 166107611) is 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene.
What is the SMILES notation for 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene?
The canonical SMILES for 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene is CCNC(=O)N1CCCC(CCOC(N)=O)C1.COC1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene?
The InChIKey is CAZNASSRNNDUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C11H21N3O3/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-13-11(16)14-6-3-4-9(8-14)5-7-17-10(12)15/h2-6,12-13H,7-10H2,1H3;9H,2-8H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene?
2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene has a molecular weight of 433.59 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate;(4-methoxycyclohexyl)benzene is sourced from PubChem (CID 166107611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).