N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide

C22H31N5O — CID 42878324

IUPACN-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide
SMILESCC(C)N1CCN(c2nnc(C(=O)NC3CCCCC3)c3ccccc23)CC1
InChIInChI=1S/C22H31N5O/c1-16(2)26-12-14-27(15-13-26)21-19-11-7-6-10-18(19)20(24-25-21)22(28)23-17-8-4-3-5-9-17/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H,23,28)
InChIKeyNRTWVCONVWJENQ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.22
Rot. Bonds4

About N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide

N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide (PubChem CID 42878324) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide
PubChem CID42878324
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide
SMILESCC(C)N1CCN(c2nnc(C(=O)NC3CCCCC3)c3ccccc23)CC1
InChIInChI=1S/C22H31N5O/c1-16(2)26-12-14-27(15-13-26)21-19-11-7-6-10-18(19)20(24-25-21)22(28)23-17-8-4-3-5-9-17/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H,23,28)
InChIKeyNRTWVCONVWJENQ-UHFFFAOYSA-N
XLogP3.22
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide (CID 42878324) is N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide is CC(C)N1CCN(c2nnc(C(=O)NC3CCCCC3)c3ccccc23)CC1.
What is the InChIKey of N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide?
The InChIKey is NRTWVCONVWJENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-16(2)26-12-14-27(15-13-26)21-19-11-7-6-10-18(19)20(24-25-21)22(28)23-17-8-4-3-5-9-17/h6-7,10-11,16-17H,3-5,8-9,12-15H2,1-2H3,(H,23,28).
What are the key properties of N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide?
N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-propan-2-ylpiperazin-1-yl)phthalazine-1-carboxamide is sourced from PubChem (CID 42878324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).