[4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone

C23H35N5O3 — CID 118190140

IUPAC[4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(N2CCOCC2)nc1)N1CCC(N2CCCC(OCC3CC3)C2)CC1
InChIInChI=1S/C23H35N5O3/c29-22(19-14-24-23(25-15-19)27-10-12-30-13-11-27)26-8-5-20(6-9-26)28-7-1-2-21(16-28)31-17-18-3-4-18/h14-15,18,20-21H,1-13,16-17H2
InChIKeyNBHMDJXGHOWFQC-UHFFFAOYSA-N
MW429.57 g/mol
LogP1.81
Rot. Bonds6

About [4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone

[4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone (PubChem CID 118190140) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is [4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
PubChem CID118190140
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC Name[4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(N2CCOCC2)nc1)N1CCC(N2CCCC(OCC3CC3)C2)CC1
InChIInChI=1S/C23H35N5O3/c29-22(19-14-24-23(25-15-19)27-10-12-30-13-11-27)26-8-5-20(6-9-26)28-7-1-2-21(16-28)31-17-18-3-4-18/h14-15,18,20-21H,1-13,16-17H2
InChIKeyNBHMDJXGHOWFQC-UHFFFAOYSA-N
XLogP1.81
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of [4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone (CID 118190140) is [4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone is O=C(c1cnc(N2CCOCC2)nc1)N1CCC(N2CCCC(OCC3CC3)C2)CC1.
What is the InChIKey of [4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is NBHMDJXGHOWFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O3/c29-22(19-14-24-23(25-15-19)27-10-12-30-13-11-27)26-8-5-20(6-9-26)28-7-1-2-21(16-28)31-17-18-3-4-18/h14-15,18,20-21H,1-13,16-17H2.
What are the key properties of [4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
[4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 429.57 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(cyclopropylmethoxy)piperidin-1-yl]piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 118190140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).