N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide

C18H25N3O2S — CID 95903256

IUPACN-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
SMILESC[C@H](C1CC1)N(C(=O)CN1CCNC(=O)[C@@H]1c1cccs1)C1CC1
InChIInChI=1S/C18H25N3O2S/c1-12(13-4-5-13)21(14-6-7-14)16(22)11-20-9-8-19-18(23)17(20)15-3-2-10-24-15/h2-3,10,12-14,17H,4-9,11H2,1H3,(H,19,23)/t12-,17+/m1/s1
InChIKeyAPHQVWLQIDGXIG-PXAZEXFGSA-N
MW347.48 g/mol
LogP2.01
Rot. Bonds6

About N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide

N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide (PubChem CID 95903256) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
PubChem CID95903256
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
SMILESC[C@H](C1CC1)N(C(=O)CN1CCNC(=O)[C@@H]1c1cccs1)C1CC1
InChIInChI=1S/C18H25N3O2S/c1-12(13-4-5-13)21(14-6-7-14)16(22)11-20-9-8-19-18(23)17(20)15-3-2-10-24-15/h2-3,10,12-14,17H,4-9,11H2,1H3,(H,19,23)/t12-,17+/m1/s1
InChIKeyAPHQVWLQIDGXIG-PXAZEXFGSA-N
XLogP2.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide (CID 95903256) is N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide is C[C@H](C1CC1)N(C(=O)CN1CCNC(=O)[C@@H]1c1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide?
The InChIKey is APHQVWLQIDGXIG-PXAZEXFGSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-12(13-4-5-13)21(14-6-7-14)16(22)11-20-9-8-19-18(23)17(20)15-3-2-10-24-15/h2-3,10,12-14,17H,4-9,11H2,1H3,(H,19,23)/t12-,17+/m1/s1.
What are the key properties of N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide?
N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide has a molecular weight of 347.48 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide is sourced from PubChem (CID 95903256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).