3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

C17H23ClN4O3 — CID 119462022

IUPAC3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCC1CCCNC1
InChIInChI=1S/C17H22N4O3.ClH/c22-15(19-11-12-4-3-8-18-10-12)7-9-21-17(24)14-6-2-1-5-13(14)16(23)20-21;/h1-2,5-6,12,18H,3-4,7-11H2,(H,19,22)(H,20,23);1H
InChIKeyAZGQTNBHOYLINO-UHFFFAOYSA-N
MW366.85 g/mol
LogP0.62
Rot. Bonds5

About 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 119462022) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
PubChem CID119462022
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCC1CCCNC1
InChIInChI=1S/C17H22N4O3.ClH/c22-15(19-11-12-4-3-8-18-10-12)7-9-21-17(24)14-6-2-1-5-13(14)16(23)20-21;/h1-2,5-6,12,18H,3-4,7-11H2,(H,19,22)(H,20,23);1H
InChIKeyAZGQTNBHOYLINO-UHFFFAOYSA-N
XLogP0.62
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylmethyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 39210877
N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 38656580
3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462556
N-(4-aminocyclohexyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide;hydrochloride
CID 119476552
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide
CID 71564585
N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119461176
3-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]-2H-phthalazine-1,4-dione;hydrochloride
CID 154900018
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464279
3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557041
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 40669798

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (CID 119462022) is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is Cl.O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCC1CCCNC1.
What is the InChIKey of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is AZGQTNBHOYLINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.ClH/c22-15(19-11-12-4-3-8-18-10-12)7-9-21-17(24)14-6-2-1-5-13(14)16(23)20-21;/h1-2,5-6,12,18H,3-4,7-11H2,(H,19,22)(H,20,23);1H.
What are the key properties of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119462022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).