2-(4-methylpiperidin-1-yl)-N-pentylacetamide

C13H26N2O — CID 108993711

IUPAC2-(4-methylpiperidin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CN1CCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-3-4-5-8-14-13(16)11-15-9-6-12(2)7-10-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyHUMOPOUUOXWMTN-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)-N-pentylacetamide

2-(4-methylpiperidin-1-yl)-N-pentylacetamide (PubChem CID 108993711) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-pentylacetamide
PubChem CID108993711
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(4-methylpiperidin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CN1CCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-3-4-5-8-14-13(16)11-15-9-6-12(2)7-10-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyHUMOPOUUOXWMTN-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
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-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610
2-(azepan-1-yl)-N-pentylacetamide
CID 109006030
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511
N-dodecyl-2-piperidin-1-ylacetamide
CID 3064220
N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111334118
N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847877
N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 22272726
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-heptyl-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
CID 22272678

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-pentylacetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-pentylacetamide (CID 108993711) is 2-(4-methylpiperidin-1-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-pentylacetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-pentylacetamide is CCCCCNC(=O)CN1CCC(C)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-pentylacetamide?
The InChIKey is HUMOPOUUOXWMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-5-8-14-13(16)11-15-9-6-12(2)7-10-15/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-pentylacetamide?
2-(4-methylpiperidin-1-yl)-N-pentylacetamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-pentylacetamide is sourced from PubChem (CID 108993711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).