2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide

C16H31N3O — CID 65083386

IUPAC2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide
SMILESCC1(C)CCCC(NC2CCN(CC(N)=O)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-16(2)8-3-4-13(5-9-16)18-14-6-10-19(11-7-14)12-15(17)20/h13-14,18H,3-12H2,1-2H3,(H2,17,20)
InChIKeyVIVKPCXPUXUXBR-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.88
Rot. Bonds4

About 2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide

2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide (PubChem CID 65083386) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide
PubChem CID65083386
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide
SMILESCC1(C)CCCC(NC2CCN(CC(N)=O)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-16(2)8-3-4-13(5-9-16)18-14-6-10-19(11-7-14)12-15(17)20/h13-14,18H,3-12H2,1-2H3,(H2,17,20)
InChIKeyVIVKPCXPUXUXBR-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-methylcycloheptyl)amino]piperidin-1-yl]acetamide
CID 65079766
2-[4-[(2,4,4-trimethylcyclopentyl)amino]piperidin-1-yl]acetamide
CID 106662205
2-[4-[(3-methylcyclobutyl)amino]piperidin-1-yl]acetamide
CID 104859652
2-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
CID 43746779
2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide
CID 54981867
2-[4-[(3-methoxycyclobutyl)amino]piperidin-1-yl]acetamide
CID 104870851
2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]acetamide
CID 64759422
1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine
CID 65083690
1-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-methylcyclohexane-1-carboxamide
CID 64551452
2-[4-[(2,5-dimethylcyclohexyl)amino]piperidin-1-yl]acetamide
CID 64761265
2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 74958986
2-[4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]piperidin-1-yl]acetamide
CID 65168063

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide (CID 65083386) is 2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide is CC1(C)CCCC(NC2CCN(CC(N)=O)CC2)CC1.
What is the InChIKey of 2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide?
The InChIKey is VIVKPCXPUXUXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-16(2)8-3-4-13(5-9-16)18-14-6-10-19(11-7-14)12-15(17)20/h13-14,18H,3-12H2,1-2H3,(H2,17,20).
What are the key properties of 2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide?
2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,4-dimethylcycloheptyl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 65083386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).