N-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide

C15H29N3O — CID 102736897

IUPACN-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C2CCCCCC2N)CC1
InChIInChI=1S/C15H29N3O/c1-12(19)17-11-13-7-9-18(10-8-13)15-6-4-2-3-5-14(15)16/h13-15H,2-11,16H2,1H3,(H,17,19)
InChIKeyYESHAZAMADFPIF-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.49
Rot. Bonds3

About N-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide

N-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102736897) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide
PubChem CID102736897
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C2CCCCCC2N)CC1
InChIInChI=1S/C15H29N3O/c1-12(19)17-11-13-7-9-18(10-8-13)15-6-4-2-3-5-14(15)16/h13-15H,2-11,16H2,1H3,(H,17,19)
InChIKeyYESHAZAMADFPIF-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide (CID 102736897) is N-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C2CCCCCC2N)CC1.
What is the InChIKey of N-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is YESHAZAMADFPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(19)17-11-13-7-9-18(10-8-13)15-6-4-2-3-5-14(15)16/h13-15H,2-11,16H2,1H3,(H,17,19).
What are the key properties of N-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminocycloheptyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).