[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

C19H31N3O3S — CID 72885837

IUPAC[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cs1
InChIInChI=1S/C19H31N3O3S/c1-2-4-18-20-16(14-26-18)19(24)22-7-6-17(15(13-22)5-3-10-23)21-8-11-25-12-9-21/h14-15,17,23H,2-13H2,1H3/t15-,17+/m1/s1
InChIKeyCRYJGMCJNJRQAB-WBVHZDCISA-N
MW381.54 g/mol
LogP2.03
Rot. Bonds7

About [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 72885837) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID72885837
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cs1
InChIInChI=1S/C19H31N3O3S/c1-2-4-18-20-16(14-26-18)19(24)22-7-6-17(15(13-22)5-3-10-23)21-8-11-25-12-9-21/h14-15,17,23H,2-13H2,1H3/t15-,17+/m1/s1
InChIKeyCRYJGMCJNJRQAB-WBVHZDCISA-N
XLogP2.03
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 97026755
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 77085528
1-[3-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidine-1-carbonyl]phenyl]ethanone
CID 72848209
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]ethanone
CID 72863342
[6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 156606651
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72900431
(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72865941
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120625539
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 70750085
[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72841560
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone
CID 66390207
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 167849425

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (CID 72885837) is [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cs1.
What is the InChIKey of [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is CRYJGMCJNJRQAB-WBVHZDCISA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-2-4-18-20-16(14-26-18)19(24)22-7-6-17(15(13-22)5-3-10-23)21-8-11-25-12-9-21/h14-15,17,23H,2-13H2,1H3/t15-,17+/m1/s1.
What are the key properties of [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 381.54 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 72885837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).