3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide

C18H28N2O3 — CID 87007993

IUPAC3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCCCOCc1ccccc1CNC(=O)N1CCCC(CO)C1
InChIInChI=1S/C18H28N2O3/c1-2-10-23-14-17-8-4-3-7-16(17)11-19-18(22)20-9-5-6-15(12-20)13-21/h3-4,7-8,15,21H,2,5-6,9-14H2,1H3,(H,19,22)
InChIKeyOKBHLMIPPZECQK-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.53
Rot. Bonds7

About 3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide

3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 87007993) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID87007993
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCCCOCc1ccccc1CNC(=O)N1CCCC(CO)C1
InChIInChI=1S/C18H28N2O3/c1-2-10-23-14-17-8-4-3-7-16(17)11-19-18(22)20-9-5-6-15(12-20)13-21/h3-4,7-8,15,21H,2,5-6,9-14H2,1H3,(H,19,22)
InChIKeyOKBHLMIPPZECQK-UHFFFAOYSA-N
XLogP2.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
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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Related Compounds

N-[[2-(propoxymethyl)phenyl]methyl]-1,4-thiazepane-4-carboxamide
CID 87007951
3-(hydroxymethyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-1-carboxamide
CID 110896024
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 111750125
N',3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111146039
4-(hydroxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 110896115
(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
CID 95641004
2-(cyclopropylmethylamino)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734225
2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 110015310
(3R)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97068501
(3S)-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97068500
3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 110922235
3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide
CID 111508966

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide (CID 87007993) is 3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide is CCCOCc1ccccc1CNC(=O)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is OKBHLMIPPZECQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-10-23-14-17-8-4-3-7-16(17)11-19-18(22)20-9-5-6-15(12-20)13-21/h3-4,7-8,15,21H,2,5-6,9-14H2,1H3,(H,19,22).
What are the key properties of 3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 87007993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).