[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C15H22N4O — CID 53010000

IUPAC[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccnc(N2CCC(C(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C15H22N4O/c1-12-4-7-16-15(17-12)19-10-5-13(6-11-19)14(20)18-8-2-3-9-18/h4,7,13H,2-3,5-6,8-11H2,1H3
InChIKeyBVPCDYGBOBEWPF-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.62
Rot. Bonds2

About [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53010000) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID53010000
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccnc(N2CCC(C(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C15H22N4O/c1-12-4-7-16-15(17-12)19-10-5-13(6-11-19)14(20)18-8-2-3-9-18/h4,7,13H,2-3,5-6,8-11H2,1H3
InChIKeyBVPCDYGBOBEWPF-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-{[(4-Methylpyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 667119
N-cyclopropyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 24792325
1-(4-Methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cycloheptylamide
CID 646431
1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 2777795
1-(4-Methyl-2-pyrimidinyl)-4-piperidinecarboxamide
CID 91406466
Tert-butyl 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 2796310
[5-(Trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 2810209
N-Ethyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 3224207
1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3232641
(1-(4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-2-yl)piperidin-4-yl)(pyrrolidin-1-yl)methanone
CID 49667596
1-(2-((4-Methylpyrimidin-2-yl)oxy)acetyl)piperidine-4-carboxamide
CID 52417045
2-Allyl-9-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70710344

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 53010000) is [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1ccnc(N2CCC(C(=O)N3CCCC3)CC2)n1.
What is the InChIKey of [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BVPCDYGBOBEWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12-4-7-16-15(17-12)19-10-5-13(6-11-19)14(20)18-8-2-3-9-18/h4,7,13H,2-3,5-6,8-11H2,1H3.
What are the key properties of [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 274.37 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53010000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).