(2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide

C21H27N3O2S — CID 131899543

IUPAC(2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1CCN(Cc2nc(-c3ccccc3)cs2)CC1)[C@H]1CCCO1
InChIInChI=1S/C21H27N3O2S/c25-21(19-7-4-12-26-19)22-13-16-8-10-24(11-9-16)14-20-23-18(15-27-20)17-5-2-1-3-6-17/h1-3,5-6,15-16,19H,4,7-14H2,(H,22,25)/t19-/m1/s1
InChIKeyACSDKDJBKSIOFS-LJQANCHMSA-N
MW385.53 g/mol
LogP3.32
Rot. Bonds6

About (2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide

(2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide (PubChem CID 131899543) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is (2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide
PubChem CID131899543
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name(2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1CCN(Cc2nc(-c3ccccc3)cs2)CC1)[C@H]1CCCO1
InChIInChI=1S/C21H27N3O2S/c25-21(19-7-4-12-26-19)22-13-16-8-10-24(11-9-16)14-20-23-18(15-27-20)17-5-2-1-3-6-17/h1-3,5-6,15-16,19H,4,7-14H2,(H,22,25)/t19-/m1/s1
InChIKeyACSDKDJBKSIOFS-LJQANCHMSA-N
XLogP3.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide (CID 131899543) is (2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide is O=C(NCC1CCN(Cc2nc(-c3ccccc3)cs2)CC1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide?
The InChIKey is ACSDKDJBKSIOFS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27N3O2S/c25-21(19-7-4-12-26-19)22-13-16-8-10-24(11-9-16)14-20-23-18(15-27-20)17-5-2-1-3-6-17/h1-3,5-6,15-16,19H,4,7-14H2,(H,22,25)/t19-/m1/s1.
What are the key properties of (2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide?
(2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 131899543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).