N,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide

C15H29N3O — CID 64852015

IUPACN,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide
SMILESCN(C)C(=O)CN1CCCCCC1C1CCNCC1
InChIInChI=1S/C15H29N3O/c1-17(2)15(19)12-18-11-5-3-4-6-14(18)13-7-9-16-10-8-13/h13-14,16H,3-12H2,1-2H3
InChIKeyBDCVCJVYFHNURV-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.32
Rot. Bonds3

About N,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide

N,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide (PubChem CID 64852015) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide
PubChem CID64852015
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide
SMILESCN(C)C(=O)CN1CCCCCC1C1CCNCC1
InChIInChI=1S/C15H29N3O/c1-17(2)15(19)12-18-11-5-3-4-6-14(18)13-7-9-16-10-8-13/h13-14,16H,3-12H2,1-2H3
InChIKeyBDCVCJVYFHNURV-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide (CID 64852015) is N,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide is CN(C)C(=O)CN1CCCCCC1C1CCNCC1.
What is the InChIKey of N,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide?
The InChIKey is BDCVCJVYFHNURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-17(2)15(19)12-18-11-5-3-4-6-14(18)13-7-9-16-10-8-13/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide?
N,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide is sourced from PubChem (CID 64852015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).