N-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide

C17H32N2O3 — CID 72853313

IUPACN-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide
SMILESCOCCCC1(CO)CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H32N2O3/c1-22-12-6-10-17(14-20)9-5-11-19(13-17)16(21)18-15-7-3-2-4-8-15/h15,20H,2-14H2,1H3,(H,18,21)
InChIKeyQUQIDBQYERZPJZ-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.53
Rot. Bonds6

About N-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide

N-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide (PubChem CID 72853313) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is N-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide
PubChem CID72853313
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC NameN-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide
SMILESCOCCCC1(CO)CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H32N2O3/c1-22-12-6-10-17(14-20)9-5-11-19(13-17)16(21)18-15-7-3-2-4-8-15/h15,20H,2-14H2,1H3,(H,18,21)
InChIKeyQUQIDBQYERZPJZ-UHFFFAOYSA-N
XLogP2.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide (CID 72853313) is N-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide is COCCCC1(CO)CCCN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide?
The InChIKey is QUQIDBQYERZPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-22-12-6-10-17(14-20)9-5-11-19(13-17)16(21)18-15-7-3-2-4-8-15/h15,20H,2-14H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide?
N-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide has a molecular weight of 312.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carboxamide is sourced from PubChem (CID 72853313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).