N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide

C19H35N3O2 — CID 131950589

IUPACN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN1CCC(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)CC1
InChIInChI=1S/C19H35N3O2/c1-24-14-13-21-11-7-16(8-12-21)19(23)20-15-17-5-4-10-22-9-3-2-6-18(17)22/h16-18H,2-15H2,1H3,(H,20,23)/t17-,18+/m0/s1
InChIKeyPQUVLEFTUCFWOV-ZWKOTPCHSA-N
MW337.51 g/mol
LogP1.73
Rot. Bonds6

About N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 131950589) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID131950589
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN1CCC(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)CC1
InChIInChI=1S/C19H35N3O2/c1-24-14-13-21-11-7-16(8-12-21)19(23)20-15-17-5-4-10-22-9-3-2-6-18(17)22/h16-18H,2-15H2,1H3,(H,20,23)/t17-,18+/m0/s1
InChIKeyPQUVLEFTUCFWOV-ZWKOTPCHSA-N
XLogP1.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide (CID 131950589) is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide is COCCN1CCC(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)CC1.
What is the InChIKey of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is PQUVLEFTUCFWOV-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-24-14-13-21-11-7-16(8-12-21)19(23)20-15-17-5-4-10-22-9-3-2-6-18(17)22/h16-18H,2-15H2,1H3,(H,20,23)/t17-,18+/m0/s1.
What are the key properties of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide?
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 337.51 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 131950589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).