2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide

C24H38N4O3 — CID 134804604

IUPAC2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCCC1)NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C24H38N4O3/c29-22(13-17-4-1-2-5-17)25-20-8-10-26(11-9-20)24(31)27-14-18-12-19(16-27)21-6-3-7-23(30)28(21)15-18/h17-21H,1-16H2,(H,25,29)/t18?,19?,21-/m1/s1
InChIKeyVACHIJJEBZYDLH-GZNCHQMQSA-N
MW430.59 g/mol
LogP2.60
Rot. Bonds3

About 2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide

2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide (PubChem CID 134804604) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide
PubChem CID134804604
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCCC1)NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C24H38N4O3/c29-22(13-17-4-1-2-5-17)25-20-8-10-26(11-9-20)24(31)27-14-18-12-19(16-27)21-6-3-7-23(30)28(21)15-18/h17-21H,1-16H2,(H,25,29)/t18?,19?,21-/m1/s1
InChIKeyVACHIJJEBZYDLH-GZNCHQMQSA-N
XLogP2.60
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide (CID 134804604) is 2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide is O=C(CC1CCCC1)NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1.
What is the InChIKey of 2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is VACHIJJEBZYDLH-GZNCHQMQSA-N. The full InChI is InChI=1S/C24H38N4O3/c29-22(13-17-4-1-2-5-17)25-20-8-10-26(11-9-20)24(31)27-14-18-12-19(16-27)21-6-3-7-23(30)28(21)15-18/h17-21H,1-16H2,(H,25,29)/t18?,19?,21-/m1/s1.
What are the key properties of 2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide?
2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 430.59 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134804604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).