N-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide

C20H26F2N4O — CID 71812032

IUPACN-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide
SMILESCc1ccc2c(cnn2C2CCN(C(=O)N[C@H]3CCCCC3(F)F)CC2)c1
InChIInChI=1S/C20H26F2N4O/c1-14-5-6-17-15(12-14)13-23-26(17)16-7-10-25(11-8-16)19(27)24-18-4-2-3-9-20(18,21)22/h5-6,12-13,16,18H,2-4,7-11H2,1H3,(H,24,27)/t18-/m0/s1
InChIKeyYRHKKMBBSLEJQG-SFHVURJKSA-N
MW376.45 g/mol
LogP4.27
Rot. Bonds2

About N-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide

N-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide (PubChem CID 71812032) has the molecular formula C20H26F2N4O and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide
PubChem CID71812032
Molecular FormulaC20H26F2N4O
Molecular Weight376.45 g/mol
Exact Mass376.21
IUPAC NameN-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide
SMILESCc1ccc2c(cnn2C2CCN(C(=O)N[C@H]3CCCCC3(F)F)CC2)c1
InChIInChI=1S/C20H26F2N4O/c1-14-5-6-17-15(12-14)13-23-26(17)16-7-10-25(11-8-16)19(27)24-18-4-2-3-9-20(18,21)22/h5-6,12-13,16,18H,2-4,7-11H2,1H3,(H,24,27)/t18-/m0/s1
InChIKeyYRHKKMBBSLEJQG-SFHVURJKSA-N
XLogP4.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide (CID 71812032) is N-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide is Cc1ccc2c(cnn2C2CCN(C(=O)N[C@H]3CCCCC3(F)F)CC2)c1.
What is the InChIKey of N-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide?
The InChIKey is YRHKKMBBSLEJQG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26F2N4O/c1-14-5-6-17-15(12-14)13-23-26(17)16-7-10-25(11-8-16)19(27)24-18-4-2-3-9-20(18,21)22/h5-6,12-13,16,18H,2-4,7-11H2,1H3,(H,24,27)/t18-/m0/s1.
What are the key properties of N-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide?
N-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-difluorocyclohexyl]-4-(5-methylindazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71812032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).