2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide

C16H29N3O2 — CID 56813393

IUPAC2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(CC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C16H29N3O2/c17-15(20)11-13-7-9-19(10-8-13)12-16(21)18-14-5-3-1-2-4-6-14/h13-14H,1-12H2,(H2,17,20)(H,18,21)
InChIKeyQPRSMQPVHRJRKP-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.41
Rot. Bonds5

About 2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide

2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide (PubChem CID 56813393) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide
PubChem CID56813393
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(CC(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C16H29N3O2/c17-15(20)11-13-7-9-19(10-8-13)12-16(21)18-14-5-3-1-2-4-6-14/h13-14H,1-12H2,(H2,17,20)(H,18,21)
InChIKeyQPRSMQPVHRJRKP-UHFFFAOYSA-N
XLogP1.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide (CID 56813393) is 2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(CC(=O)NC2CCCCCC2)CC1.
What is the InChIKey of 2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide?
The InChIKey is QPRSMQPVHRJRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c17-15(20)11-13-7-9-19(10-8-13)12-16(21)18-14-5-3-1-2-4-6-14/h13-14H,1-12H2,(H2,17,20)(H,18,21).
What are the key properties of 2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide?
2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide has a molecular weight of 295.43 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cycloheptylamino)-2-oxoethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 56813393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).