N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

C20H28ClN3O3 — CID 119752264

IUPACN-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccccc1CN1C(=O)CCC1=O)C1CCNCC1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-14(15-8-10-21-11-9-15)12-18(24)22-17-5-3-2-4-16(17)13-23-19(25)6-7-20(23)26;/h2-5,14-15,21H,6-13H2,1H3,(H,22,24);1H
InChIKeyBZUKKCXYPNKGAZ-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.72
Rot. Bonds6

About N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119752264) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119752264
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC NameN-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccccc1CN1C(=O)CCC1=O)C1CCNCC1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-14(15-8-10-21-11-9-15)12-18(24)22-17-5-3-2-4-16(17)13-23-19(25)6-7-20(23)26;/h2-5,14-15,21H,6-13H2,1H3,(H,22,24);1H
InChIKeyBZUKKCXYPNKGAZ-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 122080277
N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119399928
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119687144
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119814484
N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119305342
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725781
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119717975
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide
CID 119887755
N-(2-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676039
3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119700416
2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide
CID 119684683
N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119757485

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119752264) is N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccccc1CN1C(=O)CCC1=O)C1CCNCC1.Cl.
What is the InChIKey of N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is BZUKKCXYPNKGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.ClH/c1-14(15-8-10-21-11-9-15)12-18(24)22-17-5-3-2-4-16(17)13-23-19(25)6-7-20(23)26;/h2-5,14-15,21H,6-13H2,1H3,(H,22,24);1H.
What are the key properties of N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119752264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).