1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide

C19H33FN4O — CID 165156961

IUPAC1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide
SMILESO=C(NC1CCC(CC2CCCC(F)C2)CN1)C1CCN(C2CC2)N1
InChIInChI=1S/C19H33FN4O/c20-15-3-1-2-13(11-15)10-14-4-7-18(21-12-14)22-19(25)17-8-9-24(23-17)16-5-6-16/h13-18,21,23H,1-12H2,(H,22,25)
InChIKeyUGLRCXNNPJFLLF-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.09
Rot. Bonds5

About 1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide

1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide (PubChem CID 165156961) has the molecular formula C19H33FN4O and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide
PubChem CID165156961
Molecular FormulaC19H33FN4O
Molecular Weight352.50 g/mol
Exact Mass352.26
IUPAC Name1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide
SMILESO=C(NC1CCC(CC2CCCC(F)C2)CN1)C1CCN(C2CC2)N1
InChIInChI=1S/C19H33FN4O/c20-15-3-1-2-13(11-15)10-14-4-7-18(21-12-14)22-19(25)17-8-9-24(23-17)16-5-6-16/h13-18,21,23H,1-12H2,(H,22,25)
InChIKeyUGLRCXNNPJFLLF-UHFFFAOYSA-N
XLogP2.09
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide (CID 165156961) is 1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide is O=C(NC1CCC(CC2CCCC(F)C2)CN1)C1CCN(C2CC2)N1.
What is the InChIKey of 1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide?
The InChIKey is UGLRCXNNPJFLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FN4O/c20-15-3-1-2-13(11-15)10-14-4-7-18(21-12-14)22-19(25)17-8-9-24(23-17)16-5-6-16/h13-18,21,23H,1-12H2,(H,22,25).
What are the key properties of 1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide?
1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 165156961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).