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

C19H33N3O2 — CID 95967374

IUPACN-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCCO[C@@H]1C[C@H](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)/t16-,17+/m0/s1
InChIKeyLCUWXJGMXHFEFD-DLBZAZTESA-N
MW335.49 g/mol
LogP2.60
Rot. Bonds4

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

N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 95967374) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID95967374
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCCO[C@@H]1C[C@H](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)/t16-,17+/m0/s1
InChIKeyLCUWXJGMXHFEFD-DLBZAZTESA-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-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 95967374) is N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide is CCO[C@@H]1C[C@H](NC(=O)N2CCC(N3CCCC3)CC2)C12CCC2.
What is the InChIKey of N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is LCUWXJGMXHFEFD-DLBZAZTESA-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)/t16-,17+/m0/s1.
What are the key properties of N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-[(1S,3R)-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-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 95967374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).