1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide

C21H37N3O2 — CID 3236747

IUPAC1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCN(CCCNC(=O)C2CC(=O)N(C3CCCCCC3)C2)CC1
InChIInChI=1S/C21H37N3O2/c1-17-9-13-23(14-10-17)12-6-11-22-21(26)18-15-20(25)24(16-18)19-7-4-2-3-5-8-19/h17-19H,2-16H2,1H3,(H,22,26)
InChIKeyOQJNVXFWHTWNJZ-UHFFFAOYSA-N
MW363.55 g/mol
LogP2.80
Rot. Bonds6

About 1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide

1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3236747) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3236747
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC Name1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCN(CCCNC(=O)C2CC(=O)N(C3CCCCCC3)C2)CC1
InChIInChI=1S/C21H37N3O2/c1-17-9-13-23(14-10-17)12-6-11-22-21(26)18-15-20(25)24(16-18)19-7-4-2-3-5-8-19/h17-19H,2-16H2,1H3,(H,22,26)
InChIKeyOQJNVXFWHTWNJZ-UHFFFAOYSA-N
XLogP2.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
1-cyclohexyl-N-(3-(4-methylpiperazin-1-yl)propyl)-5-oxopyrrolidine-3-carboxamide
CID 3244366
1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3245728
1-sec-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3239387
3-Pyrrolidinecarboxamide, 1-cyclohexyl-N-(1-methylpropyl)-5-oxo-
CID 3401597
1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17257396
1-cyclohexyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 17257433
1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 3660064
N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 4089215
1-cyclohexyl-5-oxo-N-(propan-2-yl)pyrrolidine-3-carboxamide
CID 4374775
N-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 6624423
5-{[1-(3-Methylbutanoyl)-4-piperidyl]carbonyl}-1,5-diazacycloundecan-2-one
CID 110201673

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 3236747) is 1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide is CC1CCN(CCCNC(=O)C2CC(=O)N(C3CCCCCC3)C2)CC1.
What is the InChIKey of 1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OQJNVXFWHTWNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-17-9-13-23(14-10-17)12-6-11-22-21(26)18-15-20(25)24(16-18)19-7-4-2-3-5-8-19/h17-19H,2-16H2,1H3,(H,22,26).
What are the key properties of 1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 363.55 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3236747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).