[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C21H33N5O2 — CID 56739501

IUPAC[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCN(C)C1CCN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)C1
InChIInChI=1S/C21H33N5O2/c1-23(2)19-7-10-26(16-19)20-4-3-17(15-22-20)21(27)25-8-5-18(6-9-25)24-11-13-28-14-12-24/h3-4,15,18-19H,5-14,16H2,1-2H3
InChIKeyQLWWCGHPPAOOCZ-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.16
Rot. Bonds4

About [6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 56739501) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is [6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID56739501
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCN(C)C1CCN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)C1
InChIInChI=1S/C21H33N5O2/c1-23(2)19-7-10-26(16-19)20-4-3-17(15-22-20)21(27)25-8-5-18(6-9-25)24-11-13-28-14-12-24/h3-4,15,18-19H,5-14,16H2,1-2H3
InChIKeyQLWWCGHPPAOOCZ-UHFFFAOYSA-N
XLogP1.16
TPSA52.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 56739501) is [6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is CN(C)C1CCN(c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cn2)C1.
What is the InChIKey of [6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is QLWWCGHPPAOOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-23(2)19-7-10-26(16-19)20-4-3-17(15-22-20)21(27)25-8-5-18(6-9-25)24-11-13-28-14-12-24/h3-4,15,18-19H,5-14,16H2,1-2H3.
What are the key properties of [6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 387.53 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56739501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).