N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide

C19H29FN6O — CID 23653033

IUPACN-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide
SMILESO=C(Nc1cc(N2CCN(C3CCCC3)CC2)ncn1)N1CCC(F)CC1
InChIInChI=1S/C19H29FN6O/c20-15-5-7-26(8-6-15)19(27)23-17-13-18(22-14-21-17)25-11-9-24(10-12-25)16-3-1-2-4-16/h13-16H,1-12H2,(H,21,22,23,27)
InChIKeyOYIFIGNOGFWSKP-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.51
Rot. Bonds3

About N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide

N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide (PubChem CID 23653033) has the molecular formula C19H29FN6O and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide
PubChem CID23653033
Molecular FormulaC19H29FN6O
Molecular Weight376.48 g/mol
Exact Mass376.24
IUPAC NameN-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide
SMILESO=C(Nc1cc(N2CCN(C3CCCC3)CC2)ncn1)N1CCC(F)CC1
InChIInChI=1S/C19H29FN6O/c20-15-5-7-26(8-6-15)19(27)23-17-13-18(22-14-21-17)25-11-9-24(10-12-25)16-3-1-2-4-16/h13-16H,1-12H2,(H,21,22,23,27)
InChIKeyOYIFIGNOGFWSKP-UHFFFAOYSA-N
XLogP2.51
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidine-1-carboxamide
CID 23652954
1-cyclohexyl-3-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 23652956
N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543700
1-(4-cyclohexylpiperazin-1-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propan-1-one
CID 53174511
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334
[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]hydrazine
CID 80929365
1-cyclopentyl-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545517
1-cyclopentyl-3-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 23652749
2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 62369629
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
N-(cyclopropylmethyl)-6-[4-(oxan-4-yl)-1,4-diazepan-1-yl]pyrimidin-4-amine
CID 84590308

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide?
The IUPAC name of N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide (CID 23653033) is N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide.
What is the SMILES notation for N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide?
The canonical SMILES for N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide is O=C(Nc1cc(N2CCN(C3CCCC3)CC2)ncn1)N1CCC(F)CC1.
What is the InChIKey of N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide?
The InChIKey is OYIFIGNOGFWSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN6O/c20-15-5-7-26(8-6-15)19(27)23-17-13-18(22-14-21-17)25-11-9-24(10-12-25)16-3-1-2-4-16/h13-16H,1-12H2,(H,21,22,23,27).
What are the key properties of N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide?
N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyclopentylpiperazin-1-yl)pyrimidin-4-yl]-4-fluoropiperidine-1-carboxamide is sourced from PubChem (CID 23653033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).