1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one

C20H32N4O2 — CID 91839686

IUPAC1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one
SMILESCc1cccnc1CN1CCN(C(=O)CCC(C)N2CCOCC2)CC1
InChIInChI=1S/C20H32N4O2/c1-17-4-3-7-21-19(17)16-22-8-10-24(11-9-22)20(25)6-5-18(2)23-12-14-26-15-13-23/h3-4,7,18H,5-6,8-16H2,1-2H3
InChIKeyISEBIGLMPZMRKW-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.54
Rot. Bonds6

About 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one

1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one (PubChem CID 91839686) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one
PubChem CID91839686
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one
SMILESCc1cccnc1CN1CCN(C(=O)CCC(C)N2CCOCC2)CC1
InChIInChI=1S/C20H32N4O2/c1-17-4-3-7-21-19(17)16-22-8-10-24(11-9-22)20(25)6-5-18(2)23-12-14-26-15-13-23/h3-4,7,18H,5-6,8-16H2,1-2H3
InChIKeyISEBIGLMPZMRKW-UHFFFAOYSA-N
XLogP1.54
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70731899
4-[4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carbonyl]oxane-4-carbonitrile
CID 118794688
1-[4-[(2-amino-3-pyridinyl)methyl]-1,4-diazepan-1-yl]-4-piperidin-1-ylpentan-1-one
CID 134699706
4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide
CID 46989818
3-(2-amino-1,3-thiazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
CID 70777538
4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one
CID 91830644
(2R)-2-(2-methylimidazol-1-yl)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
CID 126445384
1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 70742561
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
(5-methoxyfuran-2-yl)-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 70772609

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one?
The IUPAC name of 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one (CID 91839686) is 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one?
The canonical SMILES for 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one is Cc1cccnc1CN1CCN(C(=O)CCC(C)N2CCOCC2)CC1.
What is the InChIKey of 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one?
The InChIKey is ISEBIGLMPZMRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-17-4-3-7-21-19(17)16-22-8-10-24(11-9-22)20(25)6-5-18(2)23-12-14-26-15-13-23/h3-4,7,18H,5-6,8-16H2,1-2H3.
What are the key properties of 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one?
1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one has a molecular weight of 360.50 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 91839686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).