1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide

C22H39N3O2 — CID 55743402

IUPAC1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide
SMILESCC1CCCCN1CCCCNC(=O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C22H39N3O2/c1-18-10-5-7-15-24(18)16-8-6-14-23-21(26)20-13-9-17-25(20)22(27)19-11-3-2-4-12-19/h18-20H,2-17H2,1H3,(H,23,26)
InChIKeyUTQWQMOVAARTTR-UHFFFAOYSA-N
MW377.57 g/mol
LogP3.33
Rot. Bonds7

About 1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide

1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide (PubChem CID 55743402) has the molecular formula C22H39N3O2 and a molecular weight of 377.57 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide
PubChem CID55743402
Molecular FormulaC22H39N3O2
Molecular Weight377.57 g/mol
Exact Mass377.30
IUPAC Name1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide
SMILESCC1CCCCN1CCCCNC(=O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C22H39N3O2/c1-18-10-5-7-15-24(18)16-8-6-14-23-21(26)20-13-9-17-25(20)22(27)19-11-3-2-4-12-19/h18-20H,2-17H2,1H3,(H,23,26)
InChIKeyUTQWQMOVAARTTR-UHFFFAOYSA-N
XLogP3.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 53.33
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

(2S)-1-(cyclopentanecarbonyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 95280772
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
1-(2,5-dichlorobenzoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 60589598
1-(cyclopropanecarbonyl)-N-[3-(2-hydroxyethoxy)propyl]pyrrolidine-2-carboxamide
CID 106305764
4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
CID 114422620
4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide
CID 60516245
1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060060
6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
CID 24710095
4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852622
2-methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111370522
2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 61265357
2-[2-(dodecylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 67813627

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide (CID 55743402) is 1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide is CC1CCCCN1CCCCNC(=O)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide?
The InChIKey is UTQWQMOVAARTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O2/c1-18-10-5-7-15-24(18)16-8-6-14-23-21(26)20-13-9-17-25(20)22(27)19-11-3-2-4-12-19/h18-20H,2-17H2,1H3,(H,23,26).
What are the key properties of 1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide?
1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide has a molecular weight of 377.57 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55743402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).