2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one

C20H33N5O — CID 50961029

IUPAC2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one
SMILESCCCc1cncnc1N1CCN(C2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C20H33N5O/c1-4-5-17-14-21-15-22-19(17)24-12-10-23(11-13-24)18-6-8-25(9-7-18)20(26)16(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyYRLOZRHXAHPEAQ-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.20
Rot. Bonds5

About 2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 50961029) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one
PubChem CID50961029
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one
SMILESCCCc1cncnc1N1CCN(C2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C20H33N5O/c1-4-5-17-14-21-15-22-19(17)24-12-10-23(11-13-24)18-6-8-25(9-7-18)20(26)16(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyYRLOZRHXAHPEAQ-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(1,4'-bipiperidin)-1'-yl-7-methyl-, monohydrochloride
CID 3078666
2-Cyclopentyl-8-(5-propyl-4-pyrimidinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70756429
2-Cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70786979
4-(4-Acetylpiperazin-1-yl)-5-ethylpyrimidin-2-amine
CID 72903655
5-Propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
1-Methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56752109
(3S)-N-cyclopropyl-1-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557752
(2S)-N-cyclopropyl-4-(2-methyl-5-propylpyrimidin-4-yl)piperazine-2-carboxamide
CID 95717503
(6S)-2-propan-2-yl-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96398619
(6S)-10-(cyclopropylmethyl)-1-methyl-4-(5-propylpyrimidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97118902
9-(5-ethyl-2-methylpyrimidin-4-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97153711
N-(1-propionylpiperidin-4-yl)-5-propylpyrimidin-2-amine
CID 124207034

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one (CID 50961029) is 2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one is CCCc1cncnc1N1CCN(C2CCN(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is YRLOZRHXAHPEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-4-5-17-14-21-15-22-19(17)24-12-10-23(11-13-24)18-6-8-25(9-7-18)20(26)16(2)3/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 359.52 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[4-(5-propylpyrimidin-4-yl)piperazin-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 50961029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).