1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea

C17H26N4S — CID 100572605

IUPAC1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
SMILESS=C(NC1CCCC1)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H26N4S/c22-17(19-14-5-1-2-6-14)20-15-8-11-21(12-9-15)13-16-7-3-4-10-18-16/h3-4,7,10,14-15H,1-2,5-6,8-9,11-13H2,(H2,19,20,22)
InChIKeyIAPLXYLVLZLDRC-UHFFFAOYSA-N
MW318.49 g/mol
LogP2.45
Rot. Bonds4

About 1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea

1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea (PubChem CID 100572605) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
PubChem CID100572605
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
SMILESS=C(NC1CCCC1)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H26N4S/c22-17(19-14-5-1-2-6-14)20-15-8-11-21(12-9-15)13-16-7-3-4-10-18-16/h3-4,7,10,14-15H,1-2,5-6,8-9,11-13H2,(H2,19,20,22)
InChIKeyIAPLXYLVLZLDRC-UHFFFAOYSA-N
XLogP2.45
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-anilinophenyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572511
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
methyl 4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]carbamothioylamino]benzoate
CID 100572550
1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea
CID 19686556
2-(cyclopropylmethylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 119901369
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 122132422
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea?
The IUPAC name of 1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea (CID 100572605) is 1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea is S=C(NC1CCCC1)NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea?
The InChIKey is IAPLXYLVLZLDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c22-17(19-14-5-1-2-6-14)20-15-8-11-21(12-9-15)13-16-7-3-4-10-18-16/h3-4,7,10,14-15H,1-2,5-6,8-9,11-13H2,(H2,19,20,22).
What are the key properties of 1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea?
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea has a molecular weight of 318.49 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea is sourced from PubChem (CID 100572605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).