4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide

C23H32N6O2 — CID 46981343

IUPAC4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide
SMILESNC(=O)C1(N2CCOCC2)CCN(c2nnc(N3CCCCC3)c3ccccc23)CC1
InChIInChI=1S/C23H32N6O2/c24-22(30)23(29-14-16-31-17-15-29)8-12-28(13-9-23)21-19-7-3-2-6-18(19)20(25-26-21)27-10-4-1-5-11-27/h2-3,6-7H,1,4-5,8-17H2,(H2,24,30)
InChIKeyFIGUYKMHWYZZCJ-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.78
Rot. Bonds4

About 4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide

4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide (PubChem CID 46981343) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide
PubChem CID46981343
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide
SMILESNC(=O)C1(N2CCOCC2)CCN(c2nnc(N3CCCCC3)c3ccccc23)CC1
InChIInChI=1S/C23H32N6O2/c24-22(30)23(29-14-16-31-17-15-29)8-12-28(13-9-23)21-19-7-3-2-6-18(19)20(25-26-21)27-10-4-1-5-11-27/h2-3,6-7H,1,4-5,8-17H2,(H2,24,30)
InChIKeyFIGUYKMHWYZZCJ-UHFFFAOYSA-N
XLogP1.78
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-piperidin-1-yl-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 146040392
1-(1,4-oxazepan-4-yl)isoquinoline-4-carboxylic acid
CID 106766993
4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 138378151
1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 91909236
ethyl 4-morpholin-4-ylphthalazine-1-carboxylate
CID 42878220
1-[3-(benzenesulfonyl)-7-chlorotriazolo[1,5-a]quinazolin-5-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 16956150
1-piperidin-1-ylcyclobutane-1-carboxamide
CID 175176421
1-bromo-4-piperidin-1-ylphthalazine
CID 175274183
1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 20858416
1-(2-methylbenzoyl)-4-piperidin-1-ylpiperidine-4-carboxamide
CID 715754
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098055
5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide
CID 114406478

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide?
The IUPAC name of 4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide (CID 46981343) is 4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide is NC(=O)C1(N2CCOCC2)CCN(c2nnc(N3CCCCC3)c3ccccc23)CC1.
What is the InChIKey of 4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide?
The InChIKey is FIGUYKMHWYZZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c24-22(30)23(29-14-16-31-17-15-29)8-12-28(13-9-23)21-19-7-3-2-6-18(19)20(25-26-21)27-10-4-1-5-11-27/h2-3,6-7H,1,4-5,8-17H2,(H2,24,30).
What are the key properties of 4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide?
4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1-(4-piperidin-1-ylphthalazin-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46981343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).