[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone

C20H32N4O3 — CID 72837879

IUPAC[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
SMILESO=C(N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1)C1(Cn2cccn2)CC1
InChIInChI=1S/C20H32N4O3/c25-12-1-3-17-15-23(9-4-18(17)22-10-13-27-14-11-22)19(26)20(5-6-20)16-24-8-2-7-21-24/h2,7-8,17-18,25H,1,3-6,9-16H2/t17-,18+/m1/s1
InChIKeyHPVGSCZDWNQYGA-MSOLQXFVSA-N
MW376.50 g/mol
LogP0.99
Rot. Bonds7

About [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone

[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone (PubChem CID 72837879) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
PubChem CID72837879
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
SMILESO=C(N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1)C1(Cn2cccn2)CC1
InChIInChI=1S/C20H32N4O3/c25-12-1-3-17-15-23(9-4-18(17)22-10-13-27-14-11-22)19(26)20(5-6-20)16-24-8-2-7-21-24/h2,7-8,17-18,25H,1,3-6,9-16H2/t17-,18+/m1/s1
InChIKeyHPVGSCZDWNQYGA-MSOLQXFVSA-N
XLogP0.99
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
The IUPAC name of [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone (CID 72837879) is [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone.
What is the SMILES notation for [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
The canonical SMILES for [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone is O=C(N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1)C1(Cn2cccn2)CC1.
What is the InChIKey of [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
The InChIKey is HPVGSCZDWNQYGA-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H32N4O3/c25-12-1-3-17-15-23(9-4-18(17)22-10-13-27-14-11-22)19(26)20(5-6-20)16-24-8-2-7-21-24/h2,7-8,17-18,25H,1,3-6,9-16H2/t17-,18+/m1/s1.
What are the key properties of [(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone has a molecular weight of 376.50 g/mol, XLogP of 0.99, 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]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone is sourced from PubChem (CID 72837879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).