3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide

C17H30N2O3 — CID 128867970

IUPAC3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide
SMILESCC1CC(CO)CN(C(=O)NC2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C17H30N2O3/c1-13-8-14(12-20)11-19(10-13)16(21)18-15-4-7-22-17(9-15)5-2-3-6-17/h13-15,20H,2-12H2,1H3,(H,18,21)
InChIKeyVPPFCQQTDRYYJN-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.14
Rot. Bonds2

About 3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide

3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide (PubChem CID 128867970) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide
PubChem CID128867970
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide
SMILESCC1CC(CO)CN(C(=O)NC2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C17H30N2O3/c1-13-8-14(12-20)11-19(10-13)16(21)18-15-4-7-22-17(9-15)5-2-3-6-17/h13-15,20H,2-12H2,1H3,(H,18,21)
InChIKeyVPPFCQQTDRYYJN-UHFFFAOYSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122123211
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
N-[(3-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 103883996
6-oxaspiro[4.5]decan-9-ylurea
CID 127598348
N-[(3-methylcyclohexyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103883997
(3aS,6aR)-2-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122007075
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
5-oxaspiro[3.5]nonan-8-ylurea
CID 131086736
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 98559596
3-amino-N-cyclohexyl-5-methylpiperidine-1-carboxamide
CID 79993898
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142
N-(2,2-diethyloxan-4-yl)pyrrolidine-1-carboxamide
CID 115865884

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide (CID 128867970) is 3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide is CC1CC(CO)CN(C(=O)NC2CCOC3(CCCC3)C2)C1.
What is the InChIKey of 3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide?
The InChIKey is VPPFCQQTDRYYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-13-8-14(12-20)11-19(10-13)16(21)18-15-4-7-22-17(9-15)5-2-3-6-17/h13-15,20H,2-12H2,1H3,(H,18,21).
What are the key properties of 3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide?
3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-methyl-N-(6-oxaspiro[4.5]decan-9-yl)piperidine-1-carboxamide is sourced from PubChem (CID 128867970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).