1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone

C20H30N4O2 — CID 125001192

IUPAC1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCC[C@H]1c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C20H30N4O2/c25-20(16-22-7-1-2-8-22)24-9-3-4-19(24)18-6-5-17(14-21-18)15-23-10-12-26-13-11-23/h5-6,14,19H,1-4,7-13,15-16H2/t19-/m0/s1
InChIKeySBMKMFFAXFNBAQ-IBGZPJMESA-N
MW358.49 g/mol
LogP1.67
Rot. Bonds5

About 1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone

1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 125001192) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID125001192
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCC[C@H]1c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C20H30N4O2/c25-20(16-22-7-1-2-8-22)24-9-3-4-19(24)18-6-5-17(14-21-18)15-23-10-12-26-13-11-23/h5-6,14,19H,1-4,7-13,15-16H2/t19-/m0/s1
InChIKeySBMKMFFAXFNBAQ-IBGZPJMESA-N
XLogP1.67
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone (CID 125001192) is 1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)N1CCC[C@H]1c1ccc(CN2CCOCC2)cn1.
What is the InChIKey of 1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is SBMKMFFAXFNBAQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H30N4O2/c25-20(16-22-7-1-2-8-22)24-9-3-4-19(24)18-6-5-17(14-21-18)15-23-10-12-26-13-11-23/h5-6,14,19H,1-4,7-13,15-16H2/t19-/m0/s1.
What are the key properties of 1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone?
1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 358.49 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 125001192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).