1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide

C18H33FN4O — CID 165157043

IUPAC1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide
SMILESCCN1CC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)CN1
InChIInChI=1S/C18H33FN4O/c1-2-23-12-15(11-21-23)18(24)22-17-7-6-14(10-20-17)8-13-4-3-5-16(19)9-13/h13-17,20-21H,2-12H2,1H3,(H,22,24)
InChIKeyPYLYNWPINKXVIJ-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.80
Rot. Bonds5

About 1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide

1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide (PubChem CID 165157043) has the molecular formula C18H33FN4O and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide
PubChem CID165157043
Molecular FormulaC18H33FN4O
Molecular Weight340.49 g/mol
Exact Mass340.26
IUPAC Name1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide
SMILESCCN1CC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)CN1
InChIInChI=1S/C18H33FN4O/c1-2-23-12-15(11-21-23)18(24)22-17-7-6-14(10-20-17)8-13-4-3-5-16(19)9-13/h13-17,20-21H,2-12H2,1H3,(H,22,24)
InChIKeyPYLYNWPINKXVIJ-UHFFFAOYSA-N
XLogP1.80
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide?
The IUPAC name of 1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide (CID 165157043) is 1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide is CCN1CC(C(=O)NC2CCC(CC3CCCC(F)C3)CN2)CN1.
What is the InChIKey of 1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide?
The InChIKey is PYLYNWPINKXVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FN4O/c1-2-23-12-15(11-21-23)18(24)22-17-7-6-14(10-20-17)8-13-4-3-5-16(19)9-13/h13-17,20-21H,2-12H2,1H3,(H,22,24).
What are the key properties of 1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide?
1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 165157043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).