morpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone

C19H29N5O2 — CID 56862502

IUPACmorpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(C2CCN(c3ncccn3)CC2)C1)N1CCOCC1
InChIInChI=1S/C19H29N5O2/c25-18(22-11-13-26-14-12-22)16-3-1-8-24(15-16)17-4-9-23(10-5-17)19-20-6-2-7-21-19/h2,6-7,16-17H,1,3-5,8-15H2
InChIKeyPEIRIBSPXLKARZ-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.02
Rot. Bonds3

About morpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone

morpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone (PubChem CID 56862502) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is morpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone
PubChem CID56862502
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Namemorpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(C2CCN(c3ncccn3)CC2)C1)N1CCOCC1
InChIInChI=1S/C19H29N5O2/c25-18(22-11-13-26-14-12-22)16-3-1-8-24(15-16)17-4-9-23(10-5-17)19-20-6-2-7-21-19/h2,6-7,16-17H,1,3-5,8-15H2
InChIKeyPEIRIBSPXLKARZ-UHFFFAOYSA-N
XLogP1.02
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1-Pyrimidin-2-yl-piperidine-3-carbonyl)-amino]-acetic acid ethyl ester
CID 644802
N-(2-methoxyethyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 645990
[1-(6-Morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155514035
(4-Ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 155561320
(4-Methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 155563468
[(3R)-3-Methyl-1,4'-bipiperidin-1'-yl][2-(morpholin-4-yl)pyrimidin-5-yl]methanone
CID 118166529
2-Methoxy-1-(2-(pyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 3234225
2-Methoxy-1-(9-(pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 3235149
2-(3-{[4-(Pyrimidin-2-yloxy)piperidin-1-yl]carbonyl}piperidin-1-yl)acetamide
CID 46992901
(1-Methylpiperidin-3-yl)(4-(pyrimidin-2-yloxy)piperidin-1-yl)methanone
CID 71799141
2-Cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450997
Oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 118745076

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone (CID 56862502) is morpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone is O=C(C1CCCN(C2CCN(c3ncccn3)CC2)C1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone?
The InChIKey is PEIRIBSPXLKARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c25-18(22-11-13-26-14-12-22)16-3-1-8-24(15-16)17-4-9-23(10-5-17)19-20-6-2-7-21-19/h2,6-7,16-17H,1,3-5,8-15H2.
What are the key properties of morpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone?
morpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone has a molecular weight of 359.47 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 56862502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).