[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

C22H29N5O2 — CID 109168056

IUPAC[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(NCCN2CCOCC2)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N5O2/c28-22(27-12-10-26(11-13-27)20-4-2-1-3-5-20)19-6-7-23-21(18-19)24-8-9-25-14-16-29-17-15-25/h1-7,18H,8-17H2,(H,23,24)
InChIKeyJRBBNLBTOPHLHW-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.79
Rot. Bonds6

About [2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109168056) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is [2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109168056
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(NCCN2CCOCC2)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N5O2/c28-22(27-12-10-26(11-13-27)20-4-2-1-3-5-20)19-6-7-23-21(18-19)24-8-9-25-14-16-29-17-15-25/h1-7,18H,8-17H2,(H,23,24)
InChIKeyJRBBNLBTOPHLHW-UHFFFAOYSA-N
XLogP1.79
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109169331
2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109168033
morpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone
CID 134698833
[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154014
N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112857585
[2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109166097
N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168139
N-(2-ethoxyphenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168105
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109168044
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 109165116
[4-(3-methylphenyl)piperazin-1-yl]-[2-(pentylamino)-4-pyridinyl]methanone
CID 109174364

Frequently Asked Questions

What is the IUPAC name of [2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109168056) is [2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccnc(NCCN2CCOCC2)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is JRBBNLBTOPHLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-22(27-12-10-26(11-13-27)20-4-2-1-3-5-20)19-6-7-23-21(18-19)24-8-9-25-14-16-29-17-15-25/h1-7,18H,8-17H2,(H,23,24).
What are the key properties of [2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 395.51 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109168056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).