1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide

C14H28N2O3 — CID 107263994

IUPAC1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide
SMILESCCCCOCC(O)CN1CCCC(C(=O)NC)C1
InChIInChI=1S/C14H28N2O3/c1-3-4-8-19-11-13(17)10-16-7-5-6-12(9-16)14(18)15-2/h12-13,17H,3-11H2,1-2H3,(H,15,18)
InChIKeyAUDRLRDIQYRNOG-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.62
Rot. Bonds8

About 1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide

1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide (PubChem CID 107263994) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide
PubChem CID107263994
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide
SMILESCCCCOCC(O)CN1CCCC(C(=O)NC)C1
InChIInChI=1S/C14H28N2O3/c1-3-4-8-19-11-13(17)10-16-7-5-6-12(9-16)14(18)15-2/h12-13,17H,3-11H2,1-2H3,(H,15,18)
InChIKeyAUDRLRDIQYRNOG-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-butoxy-2-hydroxypropyl)piperidin-3-yl]acetic acid
CID 107263568
2-[1-(3-butoxy-2-hydroxypropyl)piperidin-3-yl]-2-methylpropanoic acid
CID 107263626
1-butoxy-3-[3-(dimethylamino)piperidin-1-yl]propan-2-ol
CID 107263914
1-butoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 107264166
1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 111113624
1-butoxy-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
CID 107264161
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-butoxypropan-2-ol
CID 107263746
1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol
CID 107264399
1-butoxy-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 107264400
ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate
CID 81338320
1-octoxy-3-piperidin-1-ylpropan-2-ol
CID 566865
(3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 99847417

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide (CID 107263994) is 1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide is CCCCOCC(O)CN1CCCC(C(=O)NC)C1.
What is the InChIKey of 1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is AUDRLRDIQYRNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-4-8-19-11-13(17)10-16-7-5-6-12(9-16)14(18)15-2/h12-13,17H,3-11H2,1-2H3,(H,15,18).
What are the key properties of 1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide?
1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 107263994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).