2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide

C18H27N3O — CID 75403631

IUPAC2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC2CCCCc3ccccc32)CC1
InChIInChI=1S/C18H27N3O/c19-18(22)13-21-11-9-15(10-12-21)20-17-8-4-2-6-14-5-1-3-7-16(14)17/h1,3,5,7,15,17,20H,2,4,6,8-13H2,(H2,19,22)
InChIKeyNPLUERGSNSNONP-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.99
Rot. Bonds4

About 2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide

2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide (PubChem CID 75403631) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide
PubChem CID75403631
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC2CCCCc3ccccc32)CC1
InChIInChI=1S/C18H27N3O/c19-18(22)13-21-11-9-15(10-12-21)20-17-8-4-2-6-14-5-1-3-7-16(14)17/h1,3,5,7,15,17,20H,2,4,6,8-13H2,(H2,19,22)
InChIKeyNPLUERGSNSNONP-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide (CID 75403631) is 2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide is NC(=O)CN1CCC(NC2CCCCc3ccccc32)CC1.
What is the InChIKey of 2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide?
The InChIKey is NPLUERGSNSNONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c19-18(22)13-21-11-9-15(10-12-21)20-17-8-4-2-6-14-5-1-3-7-16(14)17/h1,3,5,7,15,17,20H,2,4,6,8-13H2,(H2,19,22).
What are the key properties of 2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide?
2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide has a molecular weight of 301.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 75403631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).