2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide

C16H31N3O — CID 43767045

IUPAC2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(NC2CCCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-18(2)16(20)13-19-11-9-15(10-12-19)17-14-7-5-3-4-6-8-14/h14-15,17H,3-13H2,1-2H3
InChIKeyFWSBVEJGVRJWRJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.85
Rot. Bonds4

About 2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide

2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 43767045) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID43767045
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(NC2CCCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-18(2)16(20)13-19-11-9-15(10-12-19)17-14-7-5-3-4-6-8-14/h14-15,17H,3-13H2,1-2H3
InChIKeyFWSBVEJGVRJWRJ-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclohexylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43755989
2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 63922912
2-[4-(2-aminoethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 60887213
2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43763480
N,N-dimethyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide
CID 115338674
2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide
CID 64928848
(2R)-N-cyclohexyl-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30988484
2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide
CID 127011721
4-(cyclohexylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83199527
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide (CID 43767045) is 2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(NC2CCCCCC2)CC1.
What is the InChIKey of 2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is FWSBVEJGVRJWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-18(2)16(20)13-19-11-9-15(10-12-19)17-14-7-5-3-4-6-8-14/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 281.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 43767045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).