N-(piperidin-3-ylmethyl)-N-propyloctanamide

C17H34N2O — CID 106628397

IUPACN-(piperidin-3-ylmethyl)-N-propyloctanamide
SMILESCCCCCCCC(=O)N(CCC)CC1CCCNC1
InChIInChI=1S/C17H34N2O/c1-3-5-6-7-8-11-17(20)19(13-4-2)15-16-10-9-12-18-14-16/h16,18H,3-15H2,1-2H3
InChIKeyWAOFTCNRKZDRHT-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.59
Rot. Bonds10

About N-(piperidin-3-ylmethyl)-N-propyloctanamide

N-(piperidin-3-ylmethyl)-N-propyloctanamide (PubChem CID 106628397) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propyloctanamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propyloctanamide
PubChem CID106628397
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-(piperidin-3-ylmethyl)-N-propyloctanamide
SMILESCCCCCCCC(=O)N(CCC)CC1CCCNC1
InChIInChI=1S/C17H34N2O/c1-3-5-6-7-8-11-17(20)19(13-4-2)15-16-10-9-12-18-14-16/h16,18H,3-15H2,1-2H3
InChIKeyWAOFTCNRKZDRHT-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.59
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-methyl-N-(piperidin-3-ylmethyl)decanamide
CID 106627816
ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
CID 106630010
N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435
3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea
CID 106630009
2-[(2-methylpropan-2-yl)oxy]-N-(piperidin-3-ylmethyl)-N-propylacetamide
CID 106628164
N-piperidin-3-yl-N-propyldecanamide
CID 65450246
1-methyl-N-(piperidin-3-ylmethyl)-N-propylcyclopentane-1-carboxamide
CID 106628384
2-(oxolan-2-yl)-N-(piperidin-3-ylmethyl)-N-propylacetamide
CID 106628324
N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide
CID 106628333
N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 106628102
N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 106628128
N-ethyl-3-methoxy-N-(piperidin-3-ylmethyl)propanamide
CID 106629400

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propyloctanamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propyloctanamide (CID 106628397) is N-(piperidin-3-ylmethyl)-N-propyloctanamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propyloctanamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propyloctanamide is CCCCCCCC(=O)N(CCC)CC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propyloctanamide?
The InChIKey is WAOFTCNRKZDRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-5-6-7-8-11-17(20)19(13-4-2)15-16-10-9-12-18-14-16/h16,18H,3-15H2,1-2H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propyloctanamide?
N-(piperidin-3-ylmethyl)-N-propyloctanamide has a molecular weight of 282.47 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propyloctanamide is sourced from PubChem (CID 106628397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).