[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

C20H31N5O3 — CID 56867604

IUPAC[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(N2CCC(N3CCCC(C(=O)N4CCOCC4)C3)CC2)ncn1
InChIInChI=1S/C20H31N5O3/c1-27-19-13-18(21-15-22-19)23-7-4-17(5-8-23)25-6-2-3-16(14-25)20(26)24-9-11-28-12-10-24/h13,15-17H,2-12,14H2,1H3
InChIKeyRUKCXDFIGMRUQE-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.02
Rot. Bonds4

About [1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 56867604) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is [1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID56867604
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(N2CCC(N3CCCC(C(=O)N4CCOCC4)C3)CC2)ncn1
InChIInChI=1S/C20H31N5O3/c1-27-19-13-18(21-15-22-19)23-7-4-17(5-8-23)25-6-2-3-16(14-25)20(26)24-9-11-28-12-10-24/h13,15-17H,2-12,14H2,1H3
InChIKeyRUKCXDFIGMRUQE-UHFFFAOYSA-N
XLogP1.02
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[7-(6-Methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine
CID 97451181
9-(6-Methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471375
(3aR,7aR)-5-(2-methoxyethyl)-2-(6-methoxypyrimidin-4-yl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 97510854
9-(6-Methoxypyrimidin-4-yl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118740703
Cyclobutyl(3-{[6-(1-piperidinyl)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)methanone
CID 53185876
Cyclobutyl{3-[(6-morpholino-4-pyrimidinyl)oxy]-1-pyrrolidinyl}methanone
CID 53185892
(2R*,6S*)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 50954831
[(3S)-1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95563465
(6R)-2-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96399302
(4aR,8aS)-1-(3-hydroxypropyl)-6-(6-methoxypyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 164632028
[1-(6-Methoxypyrimidin-4-yl)piperidin-4-yl]-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methyl]carbamic acid
CID 122651643
4-[4-(4,4-Difluoropiperidine-1-carbonyl)piperidin-1-yl]-6-methoxypyrimidine
CID 155975858

Frequently Asked Questions

What is the IUPAC name of [1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 56867604) is [1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is COc1cc(N2CCC(N3CCCC(C(=O)N4CCOCC4)C3)CC2)ncn1.
What is the InChIKey of [1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is RUKCXDFIGMRUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-27-19-13-18(21-15-22-19)23-7-4-17(5-8-23)25-6-2-3-16(14-25)20(26)24-9-11-28-12-10-24/h13,15-17H,2-12,14H2,1H3.
What are the key properties of [1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 389.50 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56867604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).