2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide

C14H28N2O2 — CID 114137522

IUPAC2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide
SMILESCC(C)OCCCCNC(=O)C1CCCNC1C
InChIInChI=1S/C14H28N2O2/c1-11(2)18-10-5-4-8-16-14(17)13-7-6-9-15-12(13)3/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyIYLACBGKCQGGNT-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.70
Rot. Bonds7

About 2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide

2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide (PubChem CID 114137522) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide
PubChem CID114137522
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide
SMILESCC(C)OCCCCNC(=O)C1CCCNC1C
InChIInChI=1S/C14H28N2O2/c1-11(2)18-10-5-4-8-16-14(17)13-7-6-9-15-12(13)3/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyIYLACBGKCQGGNT-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.70
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

trans-(1S,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7316355
3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide
CID 106011258
(2R,3R)-N-(2-hydroxyethyl)-2-methylpiperidine-3-carboxamide
CID 130891391
(3S,4S)-4-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-3-carboxamide
CID 114137023
trans-(1S,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclohexane-1-carboxylate
CID 7316354
N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-3-carboxamide
CID 114175575
cis-(1S,2R)-2-N-tert-butyl-1-N-(3-propan-2-yloxypropyl)cyclohexane-1,2-dicarboxamide
CID 46994442
(2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 97050937
N-(3-propan-2-yloxypropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119677888
N-but-2-ynyl-2-methylpiperidine-3-carboxamide
CID 127003919
2-methyl-N-prop-2-ynylpiperidine-3-carboxamide
CID 131048074
4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 114137006

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide (CID 114137522) is 2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide is CC(C)OCCCCNC(=O)C1CCCNC1C.
What is the InChIKey of 2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide?
The InChIKey is IYLACBGKCQGGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)18-10-5-4-8-16-14(17)13-7-6-9-15-12(13)3/h11-13,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide?
2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide is sourced from PubChem (CID 114137522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).