[6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C21H33N5O3 — CID 156606651

IUPAC[6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(N2CCC(N3CCOCC3)C(CCCO)C2)n1)N1CCCC1
InChIInChI=1S/C21H33N5O3/c27-11-3-4-17-16-26(8-5-19(17)24-9-12-29-13-10-24)20-15-22-14-18(23-20)21(28)25-6-1-2-7-25/h14-15,17,19,27H,1-13,16H2
InChIKeyAGCDJBPXWNGZSZ-UHFFFAOYSA-N
MW403.53 g/mol
LogP1.01
Rot. Bonds6

About [6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 156606651) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is [6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID156606651
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC Name[6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(N2CCC(N3CCOCC3)C(CCCO)C2)n1)N1CCCC1
InChIInChI=1S/C21H33N5O3/c27-11-3-4-17-16-26(8-5-19(17)24-9-12-29-13-10-24)20-15-22-14-18(23-20)21(28)25-6-1-2-7-25/h14-15,17,19,27H,1-13,16H2
InChIKeyAGCDJBPXWNGZSZ-UHFFFAOYSA-N
XLogP1.01
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 155498445
[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72885837
pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone
CID 56864446
[6-[(4R)-4-aminoazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 95725216
[6-(2-cyclopropylmorpholin-4-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 131932483
[6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 133131207
piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
1-[3-[(3R,4S)-3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidine-1-carbonyl]phenyl]ethanone
CID 72848209
[6-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 118774271
[6-[4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 56865396
[6-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 124814484
[6-[(6S)-4-butyl-6-hydroxy-1,4-diazepan-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 99994199

Frequently Asked Questions

What is the IUPAC name of [6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 156606651) is [6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cncc(N2CCC(N3CCOCC3)C(CCCO)C2)n1)N1CCCC1.
What is the InChIKey of [6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AGCDJBPXWNGZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3/c27-11-3-4-17-16-26(8-5-19(17)24-9-12-29-13-10-24)20-15-22-14-18(23-20)21(28)25-6-1-2-7-25/h14-15,17,19,27H,1-13,16H2.
What are the key properties of [6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 403.53 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 156606651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).