N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide

C16H28N2O — CID 56704224

IUPACN-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide
SMILESCCCN(CC1=CCCN(C)C1)C(=O)C1CCCC1
InChIInChI=1S/C16H28N2O/c1-3-10-18(16(19)15-8-4-5-9-15)13-14-7-6-11-17(2)12-14/h7,15H,3-6,8-13H2,1-2H3
InChIKeyGRURROPEXHKOPZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.68
Rot. Bonds5

About N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide

N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide (PubChem CID 56704224) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide
PubChem CID56704224
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide
SMILESCCCN(CC1=CCCN(C)C1)C(=O)C1CCCC1
InChIInChI=1S/C16H28N2O/c1-3-10-18(16(19)15-8-4-5-9-15)13-14-7-6-11-17(2)12-14/h7,15H,3-6,8-13H2,1-2H3
InChIKeyGRURROPEXHKOPZ-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-(cyclopentylmethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 99616323
1-(3,7-Dimethyl-6-octenoyl)piperidine
CID 10977478
N,N-diethyl-3,7-dimethyloct-6-enamide
CID 9991251
3,7-dimethyl-N,N-dipropyloct-6-enamide
CID 9992453
4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide
CID 10444770
N,N-diethyl-4-methylcyclohex-3-ene-1-carboxamide
CID 14884218
1,3-diethyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one
CID 19987411
3-ethyl-1-methyl-4-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]pyrrolidin-2-one
CID 19987462
(6E,10E)-N,N-diethyl-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
CID 20220952
(6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one
CID 21298075
3,7,11,15-Tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one
CID 53637928
N,2-dimethyl-N-[(E)-3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]butanamide
CID 68302265

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide?
The IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide (CID 56704224) is N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide.
What is the SMILES notation for N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide?
The canonical SMILES for N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide is CCCN(CC1=CCCN(C)C1)C(=O)C1CCCC1.
What is the InChIKey of N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide?
The InChIKey is GRURROPEXHKOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-10-18(16(19)15-8-4-5-9-15)13-14-7-6-11-17(2)12-14/h7,15H,3-6,8-13H2,1-2H3.
What are the key properties of N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide?
N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide has a molecular weight of 264.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]-N-propylcyclopentanecarboxamide is sourced from PubChem (CID 56704224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).