N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride

C19H27Cl2N3O2 — CID 119798477

IUPACN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1CCN(c2ccc(Cl)cc2)C1=O)C1CCNCC1.Cl
InChIInChI=1S/C19H26ClN3O2.ClH/c1-13(14-6-9-21-10-7-14)12-18(24)22-17-8-11-23(19(17)25)16-4-2-15(20)3-5-16;/h2-5,13-14,17,21H,6-12H2,1H3,(H,22,24);1H
InChIKeyPOZPGGCAFIFCPR-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.01
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119798477) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119798477
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC NameN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1CCN(c2ccc(Cl)cc2)C1=O)C1CCNCC1.Cl
InChIInChI=1S/C19H26ClN3O2.ClH/c1-13(14-6-9-21-10-7-14)12-18(24)22-17-8-11-23(19(17)25)16-4-2-15(20)3-5-16;/h2-5,13-14,17,21H,6-12H2,1H3,(H,22,24);1H
InChIKeyPOZPGGCAFIFCPR-UHFFFAOYSA-N
XLogP3.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-1-phenylpiperidin-3-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119787611
N-(1-methyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119782040
N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119757834
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119798473
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119744290
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119798470
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119798450
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111539971
3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781200
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119798480
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769962

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119798477) is N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NC1CCN(c2ccc(Cl)cc2)C1=O)C1CCNCC1.Cl.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is POZPGGCAFIFCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2.ClH/c1-13(14-6-9-21-10-7-14)12-18(24)22-17-8-11-23(19(17)25)16-4-2-15(20)3-5-16;/h2-5,13-14,17,21H,6-12H2,1H3,(H,22,24);1H.
What are the key properties of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 400.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119798477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).