1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide

C21H39N3O3 — CID 42881446

IUPAC1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCCCCCCC(=O)N1CCC(N2CCC(C(=O)NCCOC)CC2)CC1
InChIInChI=1S/C21H39N3O3/c1-3-4-5-6-7-20(25)24-15-10-19(11-16-24)23-13-8-18(9-14-23)21(26)22-12-17-27-2/h18-19H,3-17H2,1-2H3,(H,22,26)
InChIKeyLGENGULRERXTRD-UHFFFAOYSA-N
MW381.56 g/mol
LogP2.42
Rot. Bonds10

About 1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide

1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 42881446) has the molecular formula C21H39N3O3 and a molecular weight of 381.56 g/mol. Its IUPAC name is 1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID42881446
Molecular FormulaC21H39N3O3
Molecular Weight381.56 g/mol
Exact Mass381.30
IUPAC Name1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCCCCCCC(=O)N1CCC(N2CCC(C(=O)NCCOC)CC2)CC1
InChIInChI=1S/C21H39N3O3/c1-3-4-5-6-7-20(25)24-15-10-19(11-16-24)23-13-8-18(9-14-23)21(26)22-12-17-27-2/h18-19H,3-17H2,1-2H3,(H,22,26)
InChIKeyLGENGULRERXTRD-UHFFFAOYSA-N
XLogP2.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 42881446) is 1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide is CCCCCCC(=O)N1CCC(N2CCC(C(=O)NCCOC)CC2)CC1.
What is the InChIKey of 1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is LGENGULRERXTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O3/c1-3-4-5-6-7-20(25)24-15-10-19(11-16-24)23-13-8-18(9-14-23)21(26)22-12-17-27-2/h18-19H,3-17H2,1-2H3,(H,22,26).
What are the key properties of 1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 381.56 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-heptanoylpiperidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42881446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).