2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C17H26N4 — CID 62201293

IUPAC2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1N1CCC(CCC)CC1)CCC2
InChIInChI=1S/C17H26N4/c1-2-4-12-7-9-21(10-8-12)17-14(16(18)19)11-13-5-3-6-15(13)20-17/h11-12H,2-10H2,1H3,(H3,18,19)
InChIKeyCLTIJKXMTLSORD-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.87
Rot. Bonds4

About 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 62201293) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID62201293
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1N1CCC(CCC)CC1)CCC2
InChIInChI=1S/C17H26N4/c1-2-4-12-7-9-21(10-8-12)17-14(16(18)19)11-13-5-3-6-15(13)20-17/h11-12H,2-10H2,1H3,(H3,18,19)
InChIKeyCLTIJKXMTLSORD-UHFFFAOYSA-N
XLogP2.87
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 66391531
6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide
CID 113417646
2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 63219730
2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 63981692
2-(cyclopentylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 66323708
2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 62488498
N'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76916930
2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916651
2-[(3-carbamimidoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-methylacetamide
CID 114231755
2-(4-methoxypiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702679
2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 63523815
2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703221

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 62201293) is 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is [H]/N=C(\N)c1cc2c(nc1N1CCC(CCC)CC1)CCC2.
What is the InChIKey of 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is CLTIJKXMTLSORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-4-12-7-9-21(10-8-12)17-14(16(18)19)11-13-5-3-6-15(13)20-17/h11-12H,2-10H2,1H3,(H3,18,19).
What are the key properties of 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 286.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 62201293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).