(2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide

C22H33N3O4 — CID 38025562

IUPAC(2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide
SMILESCOc1ccccc1N1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)NC3CC3)O2)CC1
InChIInChI=1S/C22H33N3O4/c1-28-20-5-3-2-4-18(20)25-14-12-24(13-15-25)11-10-17-8-9-19(26)21(29-17)22(27)23-16-6-7-16/h2-5,16-17,19,21,26H,6-15H2,1H3,(H,23,27)/t17-,19-,21-/m0/s1
InChIKeyGSDJRUYHERYWRD-CUWPLCDZSA-N
MW403.52 g/mol
LogP1.39
Rot. Bonds7

About (2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide

(2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide (PubChem CID 38025562) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is (2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide
PubChem CID38025562
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name(2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide
SMILESCOc1ccccc1N1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)NC3CC3)O2)CC1
InChIInChI=1S/C22H33N3O4/c1-28-20-5-3-2-4-18(20)25-14-12-24(13-15-25)11-10-17-8-9-19(26)21(29-17)22(27)23-16-6-7-16/h2-5,16-17,19,21,26H,6-15H2,1H3,(H,23,27)/t17-,19-,21-/m0/s1
InChIKeyGSDJRUYHERYWRD-CUWPLCDZSA-N
XLogP1.39
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide?
The IUPAC name of (2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide (CID 38025562) is (2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide.
What is the SMILES notation for (2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide?
The canonical SMILES for (2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide is COc1ccccc1N1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)NC3CC3)O2)CC1.
What is the InChIKey of (2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide?
The InChIKey is GSDJRUYHERYWRD-CUWPLCDZSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-28-20-5-3-2-4-18(20)25-14-12-24(13-15-25)11-10-17-8-9-19(26)21(29-17)22(27)23-16-6-7-16/h2-5,16-17,19,21,26H,6-15H2,1H3,(H,23,27)/t17-,19-,21-/m0/s1.
What are the key properties of (2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide?
(2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6S)-N-cyclopropyl-3-hydroxy-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxane-2-carboxamide is sourced from PubChem (CID 38025562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).