4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide

C20H27N5O — CID 42690593

IUPAC4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
SMILESO=C(NCCN1CCCC1)c1nnc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C20H27N5O/c26-20(21-10-15-24-11-6-7-12-24)18-16-8-2-3-9-17(16)19(23-22-18)25-13-4-1-5-14-25/h2-3,8-9H,1,4-7,10-15H2,(H,21,26)
InChIKeyLQLJITBACXTIGT-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.45
Rot. Bonds5

About 4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide

4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide (PubChem CID 42690593) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
PubChem CID42690593
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
SMILESO=C(NCCN1CCCC1)c1nnc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C20H27N5O/c26-20(21-10-15-24-11-6-7-12-24)18-16-8-2-3-9-17(16)19(23-22-18)25-13-4-1-5-14-25/h2-3,8-9H,1,4-7,10-15H2,(H,21,26)
InChIKeyLQLJITBACXTIGT-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenoxyethyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690654
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide
CID 42690850
4-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 42690720
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)phthalazine-1-carboxamide
CID 42690854
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]phthalazine-1-carboxamide
CID 42878256
N-(3-chlorophenyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690640
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
N-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide
CID 42690821

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide?
The IUPAC name of 4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide (CID 42690593) is 4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide?
The canonical SMILES for 4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide is O=C(NCCN1CCCC1)c1nnc(N2CCCCC2)c2ccccc12.
What is the InChIKey of 4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide?
The InChIKey is LQLJITBACXTIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c26-20(21-10-15-24-11-6-7-12-24)18-16-8-2-3-9-17(16)19(23-22-18)25-13-4-1-5-14-25/h2-3,8-9H,1,4-7,10-15H2,(H,21,26).
What are the key properties of 4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide?
4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 42690593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).