2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide

C16H30N4O — CID 43763480

IUPAC2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(NC2CN3CCC2CC3)CC1
InChIInChI=1S/C16H30N4O/c1-18(2)16(21)12-20-9-5-14(6-10-20)17-15-11-19-7-3-13(15)4-8-19/h13-15,17H,3-12H2,1-2H3
InChIKeyPKZLBZHQQQVEQN-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.22
Rot. Bonds4

About 2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide

2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 43763480) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID43763480
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(NC2CN3CCC2CC3)CC1
InChIInChI=1S/C16H30N4O/c1-18(2)16(21)12-20-9-5-14(6-10-20)17-15-11-19-7-3-13(15)4-8-19/h13-15,17H,3-12H2,1-2H3
InChIKeyPKZLBZHQQQVEQN-UHFFFAOYSA-N
XLogP0.22
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43767045
2-[4-(cyclohexylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43755989
N,N-dimethyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide
CID 115338674
1-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 43747838
2-[4-(2-aminoethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 60887213
2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 63922912
N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195000
N,N-dimethyl-2-(4-methylpiperidin-1-yl)acetamide;ethane
CID 145317125
N,N-dimethyl-2-[4-[(4-methylpiperazin-1-yl)amino]piperidin-1-yl]acetamide
CID 83009899
2-[4-[(2-hydroxy-2-methylpropyl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 65103485
2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43770571
N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide
CID 103522748

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide (CID 43763480) is 2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(NC2CN3CCC2CC3)CC1.
What is the InChIKey of 2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is PKZLBZHQQQVEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-18(2)16(21)12-20-9-5-14(6-10-20)17-15-11-19-7-3-13(15)4-8-19/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 294.44 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 43763480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).