2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide

C15H28N4O — CID 82853286

IUPAC2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C15H28N4O/c1-16-15(20)11-18-8-4-12(5-9-18)17-13-6-10-19-7-2-3-14(13)19/h12-14,17H,2-11H2,1H3,(H,16,20)
InChIKeyHHOHYEGZMSVKLF-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.02
Rot. Bonds4

About 2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide

2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide (PubChem CID 82853286) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide
PubChem CID82853286
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C15H28N4O/c1-16-15(20)11-18-8-4-12(5-9-18)17-13-6-10-19-7-2-3-14(13)19/h12-14,17H,2-11H2,1H3,(H,16,20)
InChIKeyHHOHYEGZMSVKLF-UHFFFAOYSA-N
XLogP0.02
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide with MolForge

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Related Compounds

N-methyl-2-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]acetamide
CID 65070563
ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate
CID 43792537
N-(1-ethylazepan-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 65073555
N-cyclopropyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852848
N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide
CID 115335740
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83207677
2-[4-[(3-cyclopropylcyclohexyl)amino]piperidin-1-yl]-N-methylacetamide
CID 64595857
N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
CID 43782791
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-methyl-2-[4-[(3-methylcyclohexyl)amino]piperidin-1-yl]acetamide
CID 43435274
2-[4-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]piperidin-1-yl]-N-methylacetamide
CID 99696313

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide (CID 82853286) is 2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NC2CCN3CCCC23)CC1.
What is the InChIKey of 2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide?
The InChIKey is HHOHYEGZMSVKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-16-15(20)11-18-8-4-12(5-9-18)17-13-6-10-19-7-2-3-14(13)19/h12-14,17H,2-11H2,1H3,(H,16,20).
What are the key properties of 2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide?
2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide has a molecular weight of 280.42 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 82853286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).