[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone

C17H24N4O2 — CID 70731143

IUPAC[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ncncc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H24N4O2/c1-13-15(11-18-12-19-13)17(23)21-9-5-14(6-10-21)16(22)20-7-3-2-4-8-20/h11-12,14H,2-10H2,1H3
InChIKeyDYVBXOSTJDKQOB-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.65
Rot. Bonds2

About [1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone

[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 70731143) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is [1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID70731143
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ncncc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H24N4O2/c1-13-15(11-18-12-19-13)17(23)21-9-5-14(6-10-21)16(22)20-7-3-2-4-8-20/h11-12,14H,2-10H2,1H3
InChIKeyDYVBXOSTJDKQOB-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836281
1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone
CID 110850335
(4-methylpyrimidin-5-yl)-[4-[(2S)-1-methylsulfonylpiperidin-2-yl]piperidin-1-yl]methanone
CID 92632719
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone
CID 74240903
(4-methylpyrimidin-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124553964
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95382852
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95737135
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone
CID 124988703
1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 119349556

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 70731143) is [1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone is Cc1ncncc1C(=O)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is DYVBXOSTJDKQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-15(11-18-12-19-13)17(23)21-9-5-14(6-10-21)16(22)20-7-3-2-4-8-20/h11-12,14H,2-10H2,1H3.
What are the key properties of [1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone?
[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 316.40 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 70731143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).