N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide

C14H25N3O — CID 104596177

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)NC2CCN3CCCC23)CCCCN1
InChIInChI=1S/C14H25N3O/c1-14(7-2-3-8-15-14)13(18)16-11-6-10-17-9-4-5-12(11)17/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyQHIJMVLFLGKEFA-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.87
Rot. Bonds2

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide (PubChem CID 104596177) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide
PubChem CID104596177
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)NC2CCN3CCCC23)CCCCN1
InChIInChI=1S/C14H25N3O/c1-14(7-2-3-8-15-14)13(18)16-11-6-10-17-9-4-5-12(11)17/h11-12,15H,2-10H2,1H3,(H,16,18)
InChIKeyQHIJMVLFLGKEFA-UHFFFAOYSA-N
XLogP0.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide (CID 104596177) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide is CC1(C(=O)NC2CCN3CCCC23)CCCCN1.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide?
The InChIKey is QHIJMVLFLGKEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(7-2-3-8-15-14)13(18)16-11-6-10-17-9-4-5-12(11)17/h11-12,15H,2-10H2,1H3,(H,16,18).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).