N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide

C18H32F2N4O — CID 165157010

IUPACN-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide
SMILESCCN1CCC(C(=O)NC2CCC(CC3CCC(F)C(F)C3)CN2)N1
InChIInChI=1S/C18H32F2N4O/c1-2-24-8-7-16(23-24)18(25)22-17-6-4-13(11-21-17)9-12-3-5-14(19)15(20)10-12/h12-17,21,23H,2-11H2,1H3,(H,22,25)
InChIKeySFEVLBPJKCJFBG-UHFFFAOYSA-N
MW358.48 g/mol
LogP1.89
Rot. Bonds5

About N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide

N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide (PubChem CID 165157010) has the molecular formula C18H32F2N4O and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide
PubChem CID165157010
Molecular FormulaC18H32F2N4O
Molecular Weight358.48 g/mol
Exact Mass358.25
IUPAC NameN-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide
SMILESCCN1CCC(C(=O)NC2CCC(CC3CCC(F)C(F)C3)CN2)N1
InChIInChI=1S/C18H32F2N4O/c1-2-24-8-7-16(23-24)18(25)22-17-6-4-13(11-21-17)9-12-3-5-14(19)15(20)10-12/h12-17,21,23H,2-11H2,1H3,(H,22,25)
InChIKeySFEVLBPJKCJFBG-UHFFFAOYSA-N
XLogP1.89
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide?
The IUPAC name of N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide (CID 165157010) is N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide is CCN1CCC(C(=O)NC2CCC(CC3CCC(F)C(F)C3)CN2)N1.
What is the InChIKey of N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide?
The InChIKey is SFEVLBPJKCJFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2N4O/c1-2-24-8-7-16(23-24)18(25)22-17-6-4-13(11-21-17)9-12-3-5-14(19)15(20)10-12/h12-17,21,23H,2-11H2,1H3,(H,22,25).
What are the key properties of N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide?
N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide is sourced from PubChem (CID 165157010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).