methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate

C17H31N3O3 — CID 86882343

IUPACmethyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate
SMILESCCC1CCC(CNC(=O)NC2CCCN(C(=O)OC)C2)CC1
InChIInChI=1S/C17H31N3O3/c1-3-13-6-8-14(9-7-13)11-18-16(21)19-15-5-4-10-20(12-15)17(22)23-2/h13-15H,3-12H2,1-2H3,(H2,18,19,21)
InChIKeyHIOGYKNHEKNQEC-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.73
Rot. Bonds4

About methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate

methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate (PubChem CID 86882343) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate
PubChem CID86882343
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Namemethyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate
SMILESCCC1CCC(CNC(=O)NC2CCCN(C(=O)OC)C2)CC1
InChIInChI=1S/C17H31N3O3/c1-3-13-6-8-14(9-7-13)11-18-16(21)19-15-5-4-10-20(12-15)17(22)23-2/h13-15H,3-12H2,1-2H3,(H2,18,19,21)
InChIKeyHIOGYKNHEKNQEC-UHFFFAOYSA-N
XLogP2.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
CID 83997762
methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate
CID 95637616
methyl (3S)-3-[(4-cyanophenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 95637606
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 115590481
methyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate
CID 154785811
1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea
CID 117234763
methyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate
CID 166312025
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
methyl (3R)-3-[(methylcarbamoylamino)methyl]pyrrolidine-1-carboxylate
CID 59006518
1-[[(3R)-1-acetylpiperidin-3-yl]methyl]-3-[4-(hydroxymethyl)cyclohexyl]urea
CID 164639080

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate (CID 86882343) is methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate is CCC1CCC(CNC(=O)NC2CCCN(C(=O)OC)C2)CC1.
What is the InChIKey of methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate?
The InChIKey is HIOGYKNHEKNQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-3-13-6-8-14(9-7-13)11-18-16(21)19-15-5-4-10-20(12-15)17(22)23-2/h13-15H,3-12H2,1-2H3,(H2,18,19,21).
What are the key properties of methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate?
methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate has a molecular weight of 325.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 86882343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).