methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate

C16H28N2O3 — CID 71915372

IUPACmethyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-20-15(19)18-9-4-13(5-10-18)17-14-6-11-21-16(12-14)7-2-3-8-16/h13-14,17H,2-12H2,1H3
InChIKeyYIVGHKYQAQWXHX-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.30
Rot. Bonds2

About methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate

methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate (PubChem CID 71915372) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate
PubChem CID71915372
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namemethyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-20-15(19)18-9-4-13(5-10-18)17-14-6-11-21-16(12-14)7-2-3-8-16/h13-14,17H,2-12H2,1H3
InChIKeyYIVGHKYQAQWXHX-UHFFFAOYSA-N
XLogP2.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate with MolForge

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Related Compounds

N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79895699
N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895341
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
CID 103792111
4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide
CID 70742226
1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79898198
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477
6-oxaspiro[4.5]decan-9-ylurea
CID 127598348
methyl 3-(5-oxaspiro[3.5]nonan-8-ylamino)butanoate
CID 113357595
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate (CID 71915372) is methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate is COC(=O)N1CCC(NC2CCOC3(CCCC3)C2)CC1.
What is the InChIKey of methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate?
The InChIKey is YIVGHKYQAQWXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-20-15(19)18-9-4-13(5-10-18)17-14-6-11-21-16(12-14)7-2-3-8-16/h13-14,17H,2-12H2,1H3.
What are the key properties of methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate?
methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 71915372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).