methyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate

C15H27N3O5 — CID 154785811

IUPACmethyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NC(=O)NOC(CO)C2CCCC2)C1
InChIInChI=1S/C15H27N3O5/c1-22-15(21)18-8-4-7-12(9-18)16-14(20)17-23-13(10-19)11-5-2-3-6-11/h11-13,19H,2-10H2,1H3,(H2,16,17,20)
InChIKeyOPMLAWUCFDBWMN-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.00
Rot. Bonds5

About methyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate

methyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate (PubChem CID 154785811) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate
PubChem CID154785811
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Namemethyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NC(=O)NOC(CO)C2CCCC2)C1
InChIInChI=1S/C15H27N3O5/c1-22-15(21)18-8-4-7-12(9-18)16-14(20)17-23-13(10-19)11-5-2-3-6-11/h11-13,19H,2-10H2,1H3,(H2,16,17,20)
InChIKeyOPMLAWUCFDBWMN-UHFFFAOYSA-N
XLogP1.00
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 86882343
methyl 3-(2-amino-1-hydroxyethyl)azepane-1-carboxylate
CID 115006437
methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
CID 83997762
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
methyl 3-butan-2-ylpiperidine-1-carboxylate
CID 171824675
methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate
CID 95637616
methyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate
CID 166312025
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788
methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate
CID 83880752
methyl 3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]piperidine-1-carboxylate
CID 56823506
methyl (3S)-3-[(4-cyanophenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 95637606

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate (CID 154785811) is methyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate is COC(=O)N1CCCC(NC(=O)NOC(CO)C2CCCC2)C1.
What is the InChIKey of methyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is OPMLAWUCFDBWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-22-15(21)18-8-4-7-12(9-18)16-14(20)17-23-13(10-19)11-5-2-3-6-11/h11-13,19H,2-10H2,1H3,(H2,16,17,20).
What are the key properties of methyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate?
methyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 154785811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).