[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

C22H36N6O — CID 53165528

IUPAC[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCN(C)c1ncncc1N1CCC(C(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C22H36N6O/c1-25(2)21-20(16-23-17-24-21)27-12-6-18(7-13-27)22(29)28-14-8-19(9-15-28)26-10-4-3-5-11-26/h16-19H,3-15H2,1-2H3
InChIKeyJIIRYPRZZAVSAQ-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.24
Rot. Bonds4

About [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 53165528) has the molecular formula C22H36N6O and a molecular weight of 400.57 g/mol. Its IUPAC name is [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID53165528
Molecular FormulaC22H36N6O
Molecular Weight400.57 g/mol
Exact Mass400.30
IUPAC Name[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCN(C)c1ncncc1N1CCC(C(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C22H36N6O/c1-25(2)21-20(16-23-17-24-21)27-12-6-18(7-13-27)22(29)28-14-8-19(9-15-28)26-10-4-3-5-11-26/h16-19H,3-15H2,1-2H3
InChIKeyJIIRYPRZZAVSAQ-UHFFFAOYSA-N
XLogP2.24
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(4-Methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 53170408
Piperidino[1-(6-piperidino-4-pyrimidinyl)-4-piperidyl]methanone
CID 53170406
[1-[6-(Dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 155515923
N~4~-cyclopentyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165784
8-(5-Methylpyrimidin-2-yl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 98767055
N-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146129
Piperidin-1-yl-[1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53146162
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 53146179
N-Cyclohexyl-1-[2-(1-piperidinyl)-5-pyrimidinyl]-4-piperidinecarboxamide
CID 53146198
N-Cyclopentyl-1-[2-(1-piperidinyl)-5-pyrimidinyl]-4-piperidinecarboxamide
CID 53146202
Azepan-1-YL{1-[2-(piperidin-1-YL)pyrimidin-5-YL]piperidin-4-YL}methanone
CID 53146223
(4-Methylpiperidin-1-yl)-[1-(2-piperidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53146229

Frequently Asked Questions

What is the IUPAC name of [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 53165528) is [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is CN(C)c1ncncc1N1CCC(C(=O)N2CCC(N3CCCCC3)CC2)CC1.
What is the InChIKey of [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is JIIRYPRZZAVSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O/c1-25(2)21-20(16-23-17-24-21)27-12-6-18(7-13-27)22(29)28-14-8-19(9-15-28)26-10-4-3-5-11-26/h16-19H,3-15H2,1-2H3.
What are the key properties of [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 400.57 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 53165528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).