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

C17H30F2N4O — CID 165156995

IUPACN-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide
SMILESCN1CC(C(=O)NC2CCC(CC3CCC(F)C(F)C3)CN2)CN1
InChIInChI=1S/C17H30F2N4O/c1-23-10-13(9-21-23)17(24)22-16-5-3-12(8-20-16)6-11-2-4-14(18)15(19)7-11/h11-16,20-21H,2-10H2,1H3,(H,22,24)
InChIKeyQFWNXNSHFFJPMD-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.36
Rot. Bonds4

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

N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide (PubChem CID 165156995) has the molecular formula C17H30F2N4O and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide
PubChem CID165156995
Molecular FormulaC17H30F2N4O
Molecular Weight344.45 g/mol
Exact Mass344.24
IUPAC NameN-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide
SMILESCN1CC(C(=O)NC2CCC(CC3CCC(F)C(F)C3)CN2)CN1
InChIInChI=1S/C17H30F2N4O/c1-23-10-13(9-21-23)17(24)22-16-5-3-12(8-20-16)6-11-2-4-14(18)15(19)7-11/h11-16,20-21H,2-10H2,1H3,(H,22,24)
InChIKeyQFWNXNSHFFJPMD-UHFFFAOYSA-N
XLogP1.36
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide?
The IUPAC name of N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide (CID 165156995) is N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide.
What is the SMILES notation for N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide?
The canonical SMILES for N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide is CN1CC(C(=O)NC2CCC(CC3CCC(F)C(F)C3)CN2)CN1.
What is the InChIKey of N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide?
The InChIKey is QFWNXNSHFFJPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F2N4O/c1-23-10-13(9-21-23)17(24)22-16-5-3-12(8-20-16)6-11-2-4-14(18)15(19)7-11/h11-16,20-21H,2-10H2,1H3,(H,22,24).
What are the key properties of N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide?
N-[5-[(3,4-difluorocyclohexyl)methyl]piperidin-2-yl]-1-methylpyrazolidine-4-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 1.36, 4 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-methylpyrazolidine-4-carboxamide is sourced from PubChem (CID 165156995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).