N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide

C19H33N3O2 — CID 71985644

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCCOC1CC(NC(=O)N2CCC(N3CCCC3)CC2)C12CCC2
InChIInChI=1S/C19H33N3O2/c1-2-24-17-14-16(19(17)8-5-9-19)20-18(23)22-12-6-15(7-13-22)21-10-3-4-11-21/h15-17H,2-14H2,1H3,(H,20,23)
InChIKeyLCUWXJGMXHFEFD-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.60
Rot. Bonds4

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide

N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 71985644) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID71985644
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCCOC1CC(NC(=O)N2CCC(N3CCCC3)CC2)C12CCC2
InChIInChI=1S/C19H33N3O2/c1-2-24-17-14-16(19(17)8-5-9-19)20-18(23)22-12-6-15(7-13-22)21-10-3-4-11-21/h15-17H,2-14H2,1H3,(H,20,23)
InChIKeyLCUWXJGMXHFEFD-UHFFFAOYSA-N
XLogP2.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 71985644) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide is CCOC1CC(NC(=O)N2CCC(N3CCCC3)CC2)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is LCUWXJGMXHFEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-2-24-17-14-16(19(17)8-5-9-19)20-18(23)22-12-6-15(7-13-22)21-10-3-4-11-21/h15-17H,2-14H2,1H3,(H,20,23).
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71985644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).