ethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate

C21H33N3O4 — CID 3239487

IUPACethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCCOC)C(=O)Nc2ccc(CC)cc2)CC1
InChIInChI=1S/C21H33N3O4/c1-4-17-7-9-18(10-8-17)22-20(25)24(13-6-16-27-3)19-11-14-23(15-12-19)21(26)28-5-2/h7-10,19H,4-6,11-16H2,1-3H3,(H,22,25)
InChIKeyZHFVFVCRGYVXHG-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.74
Rot. Bonds8

About ethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate (PubChem CID 3239487) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is ethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate
PubChem CID3239487
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Nameethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCCOC)C(=O)Nc2ccc(CC)cc2)CC1
InChIInChI=1S/C21H33N3O4/c1-4-17-7-9-18(10-8-17)22-20(25)24(13-6-16-27-3)19-11-14-23(15-12-19)21(26)28-5-2/h7-10,19H,4-6,11-16H2,1-3H3,(H,22,25)
InChIKeyZHFVFVCRGYVXHG-UHFFFAOYSA-N
XLogP3.74
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24898133
Fentanyl ethylformate
CID 44371939
1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 49783427
Ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 118396004
tert-butyl 4-(4-isopropylanilino)tetrahydro-1(2H)-pyridinecarboxylate
CID 2764198
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
1,1-Dibutyl-3-(P-tolyl)urea
CID 4985948
1-(1-Propionylpiperidin-4-yl)-3-o-tolylurea
CID 49782797
Ethyl 4-[(4-butylphenyl)carbamothioyl]piperazine-1-carboxylate
CID 2193150
Ethyl 4-[(2-propan-2-ylphenyl)carbamothioyl]piperazine-1-carboxylate
CID 2468648

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate (CID 3239487) is ethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(CCCOC)C(=O)Nc2ccc(CC)cc2)CC1.
What is the InChIKey of ethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate?
The InChIKey is ZHFVFVCRGYVXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-4-17-7-9-18(10-8-17)22-20(25)24(13-6-16-27-3)19-11-14-23(15-12-19)21(26)28-5-2/h7-10,19H,4-6,11-16H2,1-3H3,(H,22,25).
What are the key properties of ethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate has a molecular weight of 391.51 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-ethylphenyl)carbamoyl-(3-methoxypropyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 3239487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).