1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide

C21H34N2O3 — CID 52721085

IUPAC1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H34N2O3/c1-26-8-2-5-22-19(24)18-3-6-23(7-4-18)20(25)21-12-15-9-16(13-21)11-17(10-15)14-21/h15-18H,2-14H2,1H3,(H,22,24)
InChIKeySHWQRIPQXTUKOW-UHFFFAOYSA-N
MW362.51 g/mol
LogP2.59
Rot. Bonds6

About 1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide

1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 52721085) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID52721085
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C21H34N2O3/c1-26-8-2-5-22-19(24)18-3-6-23(7-4-18)20(25)21-12-15-9-16(13-21)11-17(10-15)14-21/h15-18H,2-14H2,1H3,(H,22,24)
InChIKeySHWQRIPQXTUKOW-UHFFFAOYSA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 52721085) is 1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is SHWQRIPQXTUKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-26-8-2-5-22-19(24)18-3-6-23(7-4-18)20(25)21-12-15-9-16(13-21)11-17(10-15)14-21/h15-18H,2-14H2,1H3,(H,22,24).
What are the key properties of 1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 362.51 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 52721085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).