3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide

C13H26N2O2 — CID 86811915

IUPAC3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCCOC(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-11(2)17-9-5-7-14-13(16)15-8-4-6-12(3)10-15/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyBMALYYDEGCZULR-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.24
Rot. Bonds5

About 3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide

3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide (PubChem CID 86811915) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide
PubChem CID86811915
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCCOC(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-11(2)17-9-5-7-14-13(16)15-8-4-6-12(3)10-15/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyBMALYYDEGCZULR-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
4-methyl-N-(2-propan-2-yloxyethyl)piperidine-1-carboxamide
CID 104578083
3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide
CID 113234945
4-methyl-1-(4-propan-2-yloxybutylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106004542
3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81048987
6-methyl-N-(3-propan-2-yloxypropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 75449507
N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide
CID 79159564
3-hydroxy-N-[3-(2-methylpropoxy)propyl]piperidine-1-carboxamide
CID 110882664
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid
CID 106004575
N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide
CID 79163603
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide (CID 86811915) is 3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide is CC1CCCN(C(=O)NCCCOC(C)C)C1.
What is the InChIKey of 3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide?
The InChIKey is BMALYYDEGCZULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)17-9-5-7-14-13(16)15-8-4-6-12(3)10-15/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide?
3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide is sourced from PubChem (CID 86811915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).