(2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C18H25N5O3 — CID 126451330

IUPAC(2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc2nonc2c1)N1CCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C18H25N5O3/c24-18(19-12-14-4-5-16-17(11-14)21-26-20-16)23-6-2-1-3-15(23)13-22-7-9-25-10-8-22/h4-5,11,15H,1-3,6-10,12-13H2,(H,19,24)/t15-/m1/s1
InChIKeySSDYYTXLAWMLJS-OAHLLOKOSA-N
MW359.43 g/mol
LogP1.62
Rot. Bonds4

About (2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide

(2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 126451330) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID126451330
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name(2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc2nonc2c1)N1CCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C18H25N5O3/c24-18(19-12-14-4-5-16-17(11-14)21-26-20-16)23-6-2-1-3-15(23)13-22-7-9-25-10-8-22/h4-5,11,15H,1-3,6-10,12-13H2,(H,19,24)/t15-/m1/s1
InChIKeySSDYYTXLAWMLJS-OAHLLOKOSA-N
XLogP1.62
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 126451329
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95598499
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95598498
(2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95707481
N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 110196376
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71868474
(2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 126454885
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71867957
(2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 97453908
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
(6-fluoroquinolin-3-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 166186679
2-(4-methylsulfanylphenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 70755072

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 126451330) is (2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide is O=C(NCc1ccc2nonc2c1)N1CCCC[C@@H]1CN1CCOCC1.
What is the InChIKey of (2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is SSDYYTXLAWMLJS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O3/c24-18(19-12-14-4-5-16-17(11-14)21-26-20-16)23-6-2-1-3-15(23)13-22-7-9-25-10-8-22/h4-5,11,15H,1-3,6-10,12-13H2,(H,19,24)/t15-/m1/s1.
What are the key properties of (2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
(2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126451330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).