3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide

C16H31N3O2 — CID 110900914

IUPAC3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
SMILESCC(CNC(=O)N1CCCC(CO)C1)CN1CCCCC1
InChIInChI=1S/C16H31N3O2/c1-14(11-18-7-3-2-4-8-18)10-17-16(21)19-9-5-6-15(12-19)13-20/h14-15,20H,2-13H2,1H3,(H,17,21)
InChIKeyGUOSWRDXHUCNNF-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.52
Rot. Bonds5

About 3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide

3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide (PubChem CID 110900914) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
PubChem CID110900914
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
SMILESCC(CNC(=O)N1CCCC(CO)C1)CN1CCCCC1
InChIInChI=1S/C16H31N3O2/c1-14(11-18-7-3-2-4-8-18)10-17-16(21)19-9-5-6-15(12-19)13-20/h14-15,20H,2-13H2,1H3,(H,17,21)
InChIKeyGUOSWRDXHUCNNF-UHFFFAOYSA-N
XLogP1.52
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(2R)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]azepane-1-carboxamide
CID 96520406
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]pyrrolidine-1-carboxamide
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(1S,6R)-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 100859845
N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
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(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
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CID 110882593
N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
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(3S)-3-(hydroxymethyl)-N-[(2S)-2-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 96545860
1-(2-cyclopentylethyl)-3-(2-methyl-3-piperidin-1-ylpropyl)urea
CID 55933177
(3S)-3-(hydroxymethyl)-N-[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide (CID 110900914) is 3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide is CC(CNC(=O)N1CCCC(CO)C1)CN1CCCCC1.
What is the InChIKey of 3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide?
The InChIKey is GUOSWRDXHUCNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-14(11-18-7-3-2-4-8-18)10-17-16(21)19-9-5-6-15(12-19)13-20/h14-15,20H,2-13H2,1H3,(H,17,21).
What are the key properties of 3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide?
3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 110900914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).