(3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone

C17H26N4O — CID 42952772

IUPAC(3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
SMILESCC1CC(C)CN(C(=O)C2CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H26N4O/c1-13-9-14(2)11-21(10-13)16(22)15-5-3-8-20(12-15)17-18-6-4-7-19-17/h4,6-7,13-15H,3,5,8-12H2,1-2H3
InChIKeyYCWUDPDXOFROQA-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.20
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone (PubChem CID 42952772) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
PubChem CID42952772
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
SMILESCC1CC(C)CN(C(=O)C2CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H26N4O/c1-13-9-14(2)11-21(10-13)16(22)15-5-3-8-20(12-15)17-18-6-4-7-19-17/h4,6-7,13-15H,3,5,8-12H2,1-2H3
InChIKeyYCWUDPDXOFROQA-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 55575285
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 34989712
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 98762961
[(3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclobutylmethanone
CID 97402596
N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 55808596
(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435438
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 94616580
1-[(3S)-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)piperidin-1-yl]propan-1-one
CID 97203838
(1-pyrimidin-2-ylpiperidin-3-yl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55850146

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone (CID 42952772) is (3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone is CC1CC(C)CN(C(=O)C2CCCN(c3ncccn3)C2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
The InChIKey is YCWUDPDXOFROQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-9-14(2)11-21(10-13)16(22)15-5-3-8-20(12-15)17-18-6-4-7-19-17/h4,6-7,13-15H,3,5,8-12H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 42952772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).