N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide

C15H30N2O2 — CID 62211487

IUPACN-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide
SMILESCC(C)CCOCCNC(=O)CCC1CCCCN1
InChIInChI=1S/C15H30N2O2/c1-13(2)8-11-19-12-10-17-15(18)7-6-14-5-3-4-9-16-14/h13-14,16H,3-12H2,1-2H3,(H,17,18)
InChIKeyIMEVVTCCGOCVGT-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.09
Rot. Bonds9

About N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide

N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide (PubChem CID 62211487) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide
PubChem CID62211487
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide
SMILESCC(C)CCOCCNC(=O)CCC1CCCCN1
InChIInChI=1S/C15H30N2O2/c1-13(2)8-11-19-12-10-17-15(18)7-6-14-5-3-4-9-16-14/h13-14,16H,3-12H2,1-2H3,(H,17,18)
InChIKeyIMEVVTCCGOCVGT-UHFFFAOYSA-N
XLogP2.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.09
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

N-(2-but-3-enoxyethyl)-3-piperidin-2-ylpropanamide
CID 114183723
(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825
2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633835
N-(2-cyclohexylethyl)-3-piperidin-2-ylpropanamide
CID 62210016
ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate
CID 64576385
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
N-[(2S)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218985
N-[(2R)-1-hydroxypropan-2-yl]-3-piperidin-2-ylpropanamide
CID 107218481
N-[3-(diethylamino)propyl]-3-piperidin-2-ylpropanamide
CID 62210496
(2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid
CID 78986989
5-methyl-N-(2-piperidin-2-ylethyl)hex-5-enamide
CID 144920966

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide (CID 62211487) is N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide is CC(C)CCOCCNC(=O)CCC1CCCCN1.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide?
The InChIKey is IMEVVTCCGOCVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13(2)8-11-19-12-10-17-15(18)7-6-14-5-3-4-9-16-14/h13-14,16H,3-12H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide?
N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide has a molecular weight of 270.42 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)ethyl]-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 62211487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).