4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide

C20H30N2O3 — CID 111173783

IUPAC4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide
SMILESO=C(NCCCOC1CCCc2ccccc21)N1CCC(CO)CC1
InChIInChI=1S/C20H30N2O3/c23-15-16-9-12-22(13-10-16)20(24)21-11-4-14-25-19-8-3-6-17-5-1-2-7-18(17)19/h1-2,5,7,16,19,23H,3-4,6,8-15H2,(H,21,24)
InChIKeyZRBOGGJLJRCFPU-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.88
Rot. Bonds6

About 4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide (PubChem CID 111173783) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide
PubChem CID111173783
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide
SMILESO=C(NCCCOC1CCCc2ccccc21)N1CCC(CO)CC1
InChIInChI=1S/C20H30N2O3/c23-15-16-9-12-22(13-10-16)20(24)21-11-4-14-25-19-8-3-6-17-5-1-2-7-18(17)19/h1-2,5,7,16,19,23H,3-4,6,8-15H2,(H,21,24)
InChIKeyZRBOGGJLJRCFPU-UHFFFAOYSA-N
XLogP2.88
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.88
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

2-amino-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoylamino]butanoic acid
CID 122002145
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673678
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]urea
CID 95906107
2-(oxan-4-yl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide
CID 119032738
1-[(2R)-4-hydroxybutan-2-yl]-3-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]urea
CID 97086994
2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide
CID 119787357
2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185393
2-[(2R)-oxolan-2-yl]-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378100
3-(2-oxopyrrolidin-1-yl)-N-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]propanamide
CID 95378082
2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378094
ethyl 4-[[N'-methyl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111796060

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide (CID 111173783) is 4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide is O=C(NCCCOC1CCCc2ccccc21)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide?
The InChIKey is ZRBOGGJLJRCFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-15-16-9-12-22(13-10-16)20(24)21-11-4-14-25-19-8-3-6-17-5-1-2-7-18(17)19/h1-2,5,7,16,19,23H,3-4,6,8-15H2,(H,21,24).
What are the key properties of 4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 111173783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).