[4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

C25H32ClN5O3 — CID 155519086

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H32ClN5O3/c26-20-1-3-21(4-2-20)34-22-7-11-31(12-8-22)25(32)19-5-9-29(10-6-19)23-17-24(28-18-27-23)30-13-15-33-16-14-30/h1-4,17-19,22H,5-16H2
InChIKeyWKOSPHRLXAVNBO-UHFFFAOYSA-N
MW486.02 g/mol
LogP3.25
Rot. Bonds5

About [4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 155519086) has the molecular formula C25H32ClN5O3 and a molecular weight of 486.02 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID155519086
Molecular FormulaC25H32ClN5O3
Molecular Weight486.02 g/mol
Exact Mass485.22
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H32ClN5O3/c26-20-1-3-21(4-2-20)34-22-7-11-31(12-8-22)25(32)19-5-9-29(10-6-19)23-17-24(28-18-27-23)30-13-15-33-16-14-30/h1-4,17-19,22H,5-16H2
InChIKeyWKOSPHRLXAVNBO-UHFFFAOYSA-N
XLogP3.25
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.02
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 155519086) is [4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is WKOSPHRLXAVNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5O3/c26-20-1-3-21(4-2-20)34-22-7-11-31(12-8-22)25(32)19-5-9-29(10-6-19)23-17-24(28-18-27-23)30-13-15-33-16-14-30/h1-4,17-19,22H,5-16H2.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 486.02 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 155519086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).