2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide

C16H32N2O — CID 129181028

IUPAC2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide
SMILESCCCC1CCN(CCCNC(=O)C(C)CC)CC1
InChIInChI=1S/C16H32N2O/c1-4-7-15-8-12-18(13-9-15)11-6-10-17-16(19)14(3)5-2/h14-15H,4-13H2,1-3H3,(H,17,19)
InChIKeyWVTFGCBTEQEFAI-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.05
Rot. Bonds8

About 2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide

2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide (PubChem CID 129181028) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide
PubChem CID129181028
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide
SMILESCCCC1CCN(CCCNC(=O)C(C)CC)CC1
InChIInChI=1S/C16H32N2O/c1-4-7-15-8-12-18(13-9-15)11-6-10-17-16(19)14(3)5-2/h14-15H,4-13H2,1-3H3,(H,17,19)
InChIKeyWVTFGCBTEQEFAI-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.05
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-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide
CID 111434025
methanesulfonic acid;4-propyl-1-undecylpiperidine
CID 175583605
4-butyl-1-undecylpiperidine;methanesulfonic acid
CID 175583862
3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 55104284
4-butyl-1-hexylpiperidine;methanesulfonic acid
CID 175583852
(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 79023285
2-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]pentanamide;dihydrochloride
CID 119851060
N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen
CID 171539223
N-ethyl-5-(4-propylpiperidin-1-yl)pentan-2-amine
CID 55050463
(3R)-1-[3-[[(2S)-2-methylpentanoyl]amino]propyl]piperidine-3-carboxamide
CID 100840842
2-methyl-N-[2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 62437822
methanesulfonic acid;3-propyl-1-undecylpyrrolidine
CID 175583715

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide?
The IUPAC name of 2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide (CID 129181028) is 2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide.
What is the SMILES notation for 2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide?
The canonical SMILES for 2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide is CCCC1CCN(CCCNC(=O)C(C)CC)CC1.
What is the InChIKey of 2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide?
The InChIKey is WVTFGCBTEQEFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-7-15-8-12-18(13-9-15)11-6-10-17-16(19)14(3)5-2/h14-15H,4-13H2,1-3H3,(H,17,19).
What are the key properties of 2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide?
2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide has a molecular weight of 268.44 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide is sourced from PubChem (CID 129181028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).