3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide

C16H29N3O2 — CID 111508645

IUPAC3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)N1CCCC(CO)C1)C2
InChIInChI=1S/C16H29N3O2/c1-18-14-5-2-6-15(18)9-13(8-14)17-16(21)19-7-3-4-12(10-19)11-20/h12-15,20H,2-11H2,1H3,(H,17,21)
InChIKeyZZICQNZVIQVFGZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.42
Rot. Bonds2

About 3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide

3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide (PubChem CID 111508645) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide
PubChem CID111508645
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)N1CCCC(CO)C1)C2
InChIInChI=1S/C16H29N3O2/c1-18-14-5-2-6-15(18)9-13(8-14)17-16(21)19-7-3-4-12(10-19)11-20/h12-15,20H,2-11H2,1H3,(H,17,21)
InChIKeyZZICQNZVIQVFGZ-UHFFFAOYSA-N
XLogP1.42
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]piperidine-1-carboxamide
CID 129320761
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
3-(hydroxymethyl)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 110894815
3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide
CID 111508115
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71867658
(3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide
CID 100857700
2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64815349
3-(hydroxymethyl)-N-(2-methylcyclohexyl)piperidine-1-carboxamide
CID 110882587
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid
CID 113467402
3-(aminomethyl)-N-cyclobutylpiperidine-1-carboxamide
CID 82508340
1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 129432833

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide (CID 111508645) is 3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide is CN1C2CCCC1CC(NC(=O)N1CCCC(CO)C1)C2.
What is the InChIKey of 3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide?
The InChIKey is ZZICQNZVIQVFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-18-14-5-2-6-15(18)9-13(8-14)17-16(21)19-7-3-4-12(10-19)11-20/h12-15,20H,2-11H2,1H3,(H,17,21).
What are the key properties of 3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide?
3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 111508645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).