N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide

C17H22ClN3O3 — CID 119798480

IUPACN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)CCNCC1
InChIInChI=1S/C17H22ClN3O3/c1-24-17(7-9-19-10-8-17)16(23)20-14-6-11-21(15(14)22)13-4-2-12(18)3-5-13/h2-5,14,19H,6-11H2,1H3,(H,20,23)
InChIKeyAFOIUSDIFCPLCL-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.33
Rot. Bonds4

About N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide

N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119798480) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
PubChem CID119798480
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC NameN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)CCNCC1
InChIInChI=1S/C17H22ClN3O3/c1-24-17(7-9-19-10-8-17)16(23)20-14-6-11-21(15(14)22)13-4-2-12(18)3-5-13/h2-5,14,19H,6-11H2,1H3,(H,20,23)
InChIKeyAFOIUSDIFCPLCL-UHFFFAOYSA-N
XLogP1.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119785319
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119802811
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637992
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119798477
4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride
CID 120934462
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide
CID 120888456
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119798470
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111539971
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119798450
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119798473

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide (CID 119798480) is N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)CCNCC1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is AFOIUSDIFCPLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-24-17(7-9-19-10-8-17)16(23)20-14-6-11-21(15(14)22)13-4-2-12(18)3-5-13/h2-5,14,19H,6-11H2,1H3,(H,20,23).
What are the key properties of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide?
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 351.83 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119798480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).