4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide

C15H28N2O3 — CID 114423702

IUPAC4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCCOCC2CCCO2)C1
InChIInChI=1S/C15H28N2O3/c1-12-5-7-16-14(10-12)15(18)17-6-3-8-19-11-13-4-2-9-20-13/h12-14,16H,2-11H2,1H3,(H,17,18)
InChIKeyQKCZRTACFVSZKS-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.08
Rot. Bonds7

About 4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide

4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide (PubChem CID 114423702) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide
PubChem CID114423702
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCCOCC2CCCO2)C1
InChIInChI=1S/C15H28N2O3/c1-12-5-7-16-14(10-12)15(18)17-6-3-8-19-11-13-4-2-9-20-13/h12-14,16H,2-11H2,1H3,(H,17,18)
InChIKeyQKCZRTACFVSZKS-UHFFFAOYSA-N
XLogP1.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.08
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

3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrrolidine-2-carboxamide
CID 102779077
N-[3-(cyclopropylmethoxy)propyl]-4-ethylpiperidine-2-carboxamide
CID 114428069
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
CID 114424437
4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-2-carboxamide
CID 114423872
N-[2-[[N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111409222
N-(oxolan-2-ylmethyl)azetidine-2-carboxamide
CID 130964235
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide
CID 114424240
(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79013082
(3S)-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]piperidine-3-carboxamide
CID 129392973
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide (CID 114423702) is 4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide is CC1CCNC(C(=O)NCCCOCC2CCCO2)C1.
What is the InChIKey of 4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide?
The InChIKey is QKCZRTACFVSZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12-5-7-16-14(10-12)15(18)17-6-3-8-19-11-13-4-2-9-20-13/h12-14,16H,2-11H2,1H3,(H,17,18).
What are the key properties of 4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide?
4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 114423702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).