[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C19H28N4O3 — CID 56746347

IUPAC[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(N2CC[C@H](O)C2)nc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C19H28N4O3/c24-17-5-8-23(14-17)18-2-1-15(13-20-18)19(25)22-6-3-16(4-7-22)21-9-11-26-12-10-21/h1-2,13,16-17,24H,3-12,14H2/t17-/m0/s1
InChIKeyHAHGYMAMXNHVIV-KRWDZBQOSA-N
MW360.46 g/mol
LogP0.59
Rot. Bonds3

About [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 56746347) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID56746347
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(N2CC[C@H](O)C2)nc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C19H28N4O3/c24-17-5-8-23(14-17)18-2-1-15(13-20-18)19(25)22-6-3-16(4-7-22)21-9-11-26-12-10-21/h1-2,13,16-17,24H,3-12,14H2/t17-/m0/s1
InChIKeyHAHGYMAMXNHVIV-KRWDZBQOSA-N
XLogP0.59
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 56746347) is [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is O=C(c1ccc(N2CC[C@H](O)C2)nc1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is HAHGYMAMXNHVIV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-17-5-8-23(14-17)18-2-1-15(13-20-18)19(25)22-6-3-16(4-7-22)21-9-11-26-12-10-21/h1-2,13,16-17,24H,3-12,14H2/t17-/m0/s1.
What are the key properties of [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56746347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).