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

C18H32F2N4O — CID 165157000

IUPACN-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide
SMILESCCN1CCC(C(=O)NC2CCC(CC3CC(F)CC(F)C3)CN2)N1
InChIInChI=1S/C18H32F2N4O/c1-2-24-6-5-16(23-24)18(25)22-17-4-3-12(11-21-17)7-13-8-14(19)10-15(20)9-13/h12-17,21,23H,2-11H2,1H3,(H,22,25)
InChIKeyBMKSRANZEAGBMN-UHFFFAOYSA-N
MW358.48 g/mol
LogP1.89
Rot. Bonds5

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

N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide (PubChem CID 165157000) has the molecular formula C18H32F2N4O and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide
PubChem CID165157000
Molecular FormulaC18H32F2N4O
Molecular Weight358.48 g/mol
Exact Mass358.25
IUPAC NameN-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide
SMILESCCN1CCC(C(=O)NC2CCC(CC3CC(F)CC(F)C3)CN2)N1
InChIInChI=1S/C18H32F2N4O/c1-2-24-6-5-16(23-24)18(25)22-17-4-3-12(11-21-17)7-13-8-14(19)10-15(20)9-13/h12-17,21,23H,2-11H2,1H3,(H,22,25)
InChIKeyBMKSRANZEAGBMN-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

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Related Compounds

N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-2-methyl-1,3-diazinane-4-carboxamide
CID 153179429
N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1,2-dimethyl-5-oxopyrazolidine-3-carboxamide
CID 155699974
1-cyclopropyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-3-carboxamide
CID 165156961
N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide
CID 165156995
N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-5-hydroxy-1-methylpyrazolidine-3-carboxamide
CID 165157005
N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide
CID 165157010
N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-3-carboxamide
CID 165157012
N-[5-[(3-chloro-5-fluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide
CID 165157015
N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide
CID 165157018
N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]-1-(trifluoromethyl)pyrazolidine-3-carboxamide
CID 165157019
1-ethyl-N-[5-[(3-fluorocyclohexyl)methyl]piperidin-2-yl]pyrazolidine-4-carboxamide
CID 165157043
N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-6-methyldiazinane-3-carboxamide
CID 165157046

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide?
The IUPAC name of N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide (CID 165157000) is N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide is CCN1CCC(C(=O)NC2CCC(CC3CC(F)CC(F)C3)CN2)N1.
What is the InChIKey of N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide?
The InChIKey is BMKSRANZEAGBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2N4O/c1-2-24-6-5-16(23-24)18(25)22-17-4-3-12(11-21-17)7-13-8-14(19)10-15(20)9-13/h12-17,21,23H,2-11H2,1H3,(H,22,25).
What are the key properties of N-[5-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide?
N-[5-[(3,5-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-[(3,5-difluorocyclohexyl)methyl]piperidin-2-yl]-1-ethylpyrazolidine-3-carboxamide is sourced from PubChem (CID 165157000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).