4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide

C15H28N4O — CID 83207677

IUPAC4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C15H28N4O/c1-17(2)15(20)19-9-5-12(6-10-19)16-13-7-11-18-8-3-4-14(13)18/h12-14,16H,3-11H2,1-2H3
InChIKeyOKTDDOYHESJCNC-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.96
Rot. Bonds2

About 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide

4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83207677) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83207677
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C15H28N4O/c1-17(2)15(20)19-9-5-12(6-10-19)16-13-7-11-18-8-3-4-14(13)18/h12-14,16H,3-11H2,1-2H3
InChIKeyOKTDDOYHESJCNC-UHFFFAOYSA-N
XLogP0.96
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide with MolForge

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Related Compounds

ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate
CID 43792537
N-cyclopropyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852848
4-(cyclohexylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83199527
2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide
CID 82853286
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide
CID 82853124
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol
CID 82853106
N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694307
4-[(4,4-dimethylcyclohexyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83201910
N,N-dimethyl-4-[(3-methylcyclobutyl)amino]piperidine-1-carboxamide
CID 115899665
N-(1-ethylazepan-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 65073555
tert-butyl 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrrolidine-1-carboxylate
CID 103820870
4-[(1,1-dioxothian-4-yl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83260972

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide (CID 83207677) is 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(NC2CCN3CCCC23)CC1.
What is the InChIKey of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is OKTDDOYHESJCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-17(2)15(20)19-9-5-12(6-10-19)16-13-7-11-18-8-3-4-14(13)18/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide?
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83207677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).