N-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide

C19H28F2N6O — CID 23652670

IUPACN-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide
SMILESO=C(Nc1ccnc(N2CCN(C3CCCC3)CC2)n1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H28F2N6O/c20-19(21)6-9-27(10-7-19)18(28)24-16-5-8-22-17(23-16)26-13-11-25(12-14-26)15-3-1-2-4-15/h5,8,15H,1-4,6-7,9-14H2,(H,22,23,24,28)
InChIKeyLCFZUGFUFAAAIA-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.80
Rot. Bonds3

About N-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide

N-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide (PubChem CID 23652670) has the molecular formula C19H28F2N6O and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide
PubChem CID23652670
Molecular FormulaC19H28F2N6O
Molecular Weight394.47 g/mol
Exact Mass394.23
IUPAC NameN-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide
SMILESO=C(Nc1ccnc(N2CCN(C3CCCC3)CC2)n1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H28F2N6O/c20-19(21)6-9-27(10-7-19)18(28)24-16-5-8-22-17(23-16)26-13-11-25(12-14-26)15-3-1-2-4-15/h5,8,15H,1-4,6-7,9-14H2,(H,22,23,24,28)
InChIKeyLCFZUGFUFAAAIA-UHFFFAOYSA-N
XLogP2.80
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide?
The IUPAC name of N-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide (CID 23652670) is N-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide is O=C(Nc1ccnc(N2CCN(C3CCCC3)CC2)n1)N1CCC(F)(F)CC1.
What is the InChIKey of N-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide?
The InChIKey is LCFZUGFUFAAAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N6O/c20-19(21)6-9-27(10-7-19)18(28)24-16-5-8-22-17(23-16)26-13-11-25(12-14-26)15-3-1-2-4-15/h5,8,15H,1-4,6-7,9-14H2,(H,22,23,24,28).
What are the key properties of N-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide?
N-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4,4-difluoropiperidine-1-carboxamide is sourced from PubChem (CID 23652670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).