4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile

C27H36N6O2 — CID 66549292

IUPAC4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile
SMILESCc1cc(N2N=C(N3CC4(CN(C(=O)N5CCC(O)CC5)C4)C3)CC2C2CCCC2)ccc1C#N
InChIInChI=1S/C27H36N6O2/c1-19-12-22(7-6-21(19)14-28)33-24(20-4-2-3-5-20)13-25(29-33)31-15-27(16-31)17-32(18-27)26(35)30-10-8-23(34)9-11-30/h6-7,12,20,23-24,34H,2-5,8-11,13,15-18H2,1H3
InChIKeyRYJPAKABVCTMSX-UHFFFAOYSA-N
MW476.63 g/mol
LogP3.14
Rot. Bonds2

About 4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile

4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile (PubChem CID 66549292) has the molecular formula C27H36N6O2 and a molecular weight of 476.63 g/mol. Its IUPAC name is 4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile
PubChem CID66549292
Molecular FormulaC27H36N6O2
Molecular Weight476.63 g/mol
Exact Mass476.29
IUPAC Name4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile
SMILESCc1cc(N2N=C(N3CC4(CN(C(=O)N5CCC(O)CC5)C4)C3)CC2C2CCCC2)ccc1C#N
InChIInChI=1S/C27H36N6O2/c1-19-12-22(7-6-21(19)14-28)33-24(20-4-2-3-5-20)13-25(29-33)31-15-27(16-31)17-32(18-27)26(35)30-10-8-23(34)9-11-30/h6-7,12,20,23-24,34H,2-5,8-11,13,15-18H2,1H3
InChIKeyRYJPAKABVCTMSX-UHFFFAOYSA-N
XLogP3.14
TPSA86.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile?
The IUPAC name of 4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile (CID 66549292) is 4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile.
What is the SMILES notation for 4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile?
The canonical SMILES for 4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile is Cc1cc(N2N=C(N3CC4(CN(C(=O)N5CCC(O)CC5)C4)C3)CC2C2CCCC2)ccc1C#N.
What is the InChIKey of 4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile?
The InChIKey is RYJPAKABVCTMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O2/c1-19-12-22(7-6-21(19)14-28)33-24(20-4-2-3-5-20)13-25(29-33)31-15-27(16-31)17-32(18-27)26(35)30-10-8-23(34)9-11-30/h6-7,12,20,23-24,34H,2-5,8-11,13,15-18H2,1H3.
What are the key properties of 4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile?
4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile has a molecular weight of 476.63 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile is sourced from PubChem (CID 66549292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).