N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C18H30N4OS — CID 25384140

IUPACN-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCSCCCN1CCC(n2nccc2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C18H30N4OS/c1-24-14-4-11-21-12-8-16(9-13-21)22-17(7-10-19-22)20-18(23)15-5-2-3-6-15/h7,10,15-16H,2-6,8-9,11-14H2,1H3,(H,20,23)
InChIKeyKYIAMBCZCFJCDA-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.40
Rot. Bonds7

About N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 25384140) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID25384140
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC NameN-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCSCCCN1CCC(n2nccc2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C18H30N4OS/c1-24-14-4-11-21-12-8-16(9-13-21)22-17(7-10-19-22)20-18(23)15-5-2-3-6-15/h7,10,15-16H,2-6,8-9,11-14H2,1H3,(H,20,23)
InChIKeyKYIAMBCZCFJCDA-UHFFFAOYSA-N
XLogP3.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 25384140) is N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is CSCCCN1CCC(n2nccc2NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is KYIAMBCZCFJCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-24-14-4-11-21-12-8-16(9-13-21)22-17(7-10-19-22)20-18(23)15-5-2-3-6-15/h7,10,15-16H,2-6,8-9,11-14H2,1H3,(H,20,23).
What are the key properties of N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 350.53 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 25384140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).